N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide

C26H38N4O4 — CID 139393490

IUPACN-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCNC(=O)C(CC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
InChIInChI=1S/C26H38N4O4/c1-17(2)16-30-21(24-22(33-4)12-9-13-23(24)34-5)15-20(29-30)26(32)28-19(25(31)27-3)14-18-10-7-6-8-11-18/h9,12-13,15,17-19H,6-8,10-11,14,16H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyQPRPBWBJZITTRU-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.04
Rot. Bonds10

About N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide

N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 139393490) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID139393490
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCNC(=O)C(CC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1
InChIInChI=1S/C26H38N4O4/c1-17(2)16-30-21(24-22(33-4)12-9-13-23(24)34-5)15-20(29-30)26(32)28-19(25(31)27-3)14-18-10-7-6-8-11-18/h9,12-13,15,17-19H,6-8,10-11,14,16H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyQPRPBWBJZITTRU-UHFFFAOYSA-N
XLogP4.04
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[(2S)-2-cyclohexyl-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]acetyl]amino]acetate
CID 118568796
N-[(3S)-1-(cyclohexylmethylamino)-5-methyl-1-oxohexan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568563
N-[(2S)-4-cyclohexyl-1-[2-methoxyethyl(methyl)amino]butan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 146176347
N-[5-cyclohexyl-1-(2-methoxyethylamino)-1-oxopentan-3-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 139375104
(2S)-2-cyclohexyl-2-[[1-(cyclohexylmethyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 118568683
methyl 2-[[(3S)-6-cyclohexyl-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]hexanoyl]amino]acetate
CID 118568754
ethane;methyl 2-[[(2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-4-methylpentanoyl]amino]acetate
CID 144973879
(3S)-3-amino-4-cyclohexyl-1-[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]butan-2-one
CID 159539586
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
(3R)-3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoic acid
CID 129226749
methyl 3-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-5-methylhexanoate
CID 146176167
methyl 2-[[2-[[5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoyl]amino]acetate
CID 139375085

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide (CID 139393490) is N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is CNC(=O)C(CC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1.
What is the InChIKey of N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is QPRPBWBJZITTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-17(2)16-30-21(24-22(33-4)12-9-13-23(24)34-5)15-20(29-30)26(32)28-19(25(31)27-3)14-18-10-7-6-8-11-18/h9,12-13,15,17-19H,6-8,10-11,14,16H2,1-5H3,(H,27,31)(H,28,32).
What are the key properties of N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide?
N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 470.61 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-5-(2,6-dimethoxyphenyl)-1-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 139393490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).