N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide

C27H40N4O4 — CID 122414393

IUPACN-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)NC(CC(=O)NC2CCC2)C(C)C)cc1-c1c(OC)cccc1OC
InChIInChI=1S/C27H40N4O4/c1-7-18(4)16-31-22(26-23(34-5)12-9-13-24(26)35-6)14-21(30-31)27(33)29-20(17(2)3)15-25(32)28-19-10-8-11-19/h9,12-14,17-20H,7-8,10-11,15-16H2,1-6H3,(H,28,32)(H,29,33)
InChIKeyYSQKRWFJIKAKPK-UHFFFAOYSA-N
MW484.64 g/mol
LogP4.43
Rot. Bonds12

About N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide

N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide (PubChem CID 122414393) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide
PubChem CID122414393
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC NameN-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide
SMILESCCC(C)Cn1nc(C(=O)NC(CC(=O)NC2CCC2)C(C)C)cc1-c1c(OC)cccc1OC
InChIInChI=1S/C27H40N4O4/c1-7-18(4)16-31-22(26-23(34-5)12-9-13-24(26)35-6)14-21(30-31)27(33)29-20(17(2)3)15-25(32)28-19-10-8-11-19/h9,12-14,17-20H,7-8,10-11,15-16H2,1-6H3,(H,28,32)(H,29,33)
InChIKeyYSQKRWFJIKAKPK-UHFFFAOYSA-N
XLogP4.43
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-1-(cyclobutylamino)-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide
CID 118568977
5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)-N-[(3S)-5-methyl-1-(methylamino)-1-oxohexan-3-yl]pyrazole-3-carboxamide
CID 118568485
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-pyridin-1-ium-1-ylpentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 156630563
2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carbonyl]amino]acetic acid;2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carbonyl]amino]acetic acid;ethane
CID 144973811
5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(ethylamino)-5-methyl-1-oxohexan-3-yl]-1-(2-methylbutyl)pyrazole-3-carboxamide
CID 122413044
5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)-N-[(3S)-5-methyl-1-oxo-1-(pentylamino)hexan-3-yl]pyrazole-3-carboxamide
CID 118568882
N-[1-(butylamino)-4-methyl-1-oxopentan-3-yl]-1-(cyclohexylmethyl)-5-(2-methoxy-6-phenylmethoxyphenyl)pyrazole-3-carboxamide
CID 122414317
5-(2,6-dimethoxyphenyl)-1-(3-methylbutan-2-yl)-N-[4-methyl-1-oxo-1-(propylamino)pentan-3-yl]pyrazole-3-carboxamide
CID 122414366
N-[(3R)-5-(cyclobutylamino)-5-oxopent-1-en-3-yl]-5-(2,6-dimethoxyphenyl)-1-(3-methylcyclopentyl)pyrazole-3-carboxamide
CID 118568528
5-(2,6-dimethoxyphenyl)-N-[(3S)-5-methyl-1-oxo-1-(propan-2-ylamino)hexan-3-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568817
N-[(3S)-1-(cyclohexylmethylamino)-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568563
N-[(3S)-1-amino-5-cyclohexyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-ethylbutyl)pyrazole-3-carboxamide
CID 118569027

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide (CID 122414393) is N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide is CCC(C)Cn1nc(C(=O)NC(CC(=O)NC2CCC2)C(C)C)cc1-c1c(OC)cccc1OC.
What is the InChIKey of N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide?
The InChIKey is YSQKRWFJIKAKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-7-18(4)16-31-22(26-23(34-5)12-9-13-24(26)35-6)14-21(30-31)27(33)29-20(17(2)3)15-25(32)28-19-10-8-11-19/h9,12-14,17-20H,7-8,10-11,15-16H2,1-6H3,(H,28,32)(H,29,33).
What are the key properties of N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide?
N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 4.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutylamino)-4-methyl-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122414393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).