1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide

C21H32N4O3 — CID 167825122

IUPAC1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide
SMILESCC(OCC1CC1)C(=O)NCC1(NC(=O)c2cnn(C3CCCC3)c2)CCC1
InChIInChI=1S/C21H32N4O3/c1-15(28-13-16-7-8-16)19(26)22-14-21(9-4-10-21)24-20(27)17-11-23-25(12-17)18-5-2-3-6-18/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,24,27)
InChIKeyKNROGGMCISWPPI-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.58
Rot. Bonds9

About 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide

1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide (PubChem CID 167825122) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide
PubChem CID167825122
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide
SMILESCC(OCC1CC1)C(=O)NCC1(NC(=O)c2cnn(C3CCCC3)c2)CCC1
InChIInChI=1S/C21H32N4O3/c1-15(28-13-16-7-8-16)19(26)22-14-21(9-4-10-21)24-20(27)17-11-23-25(12-17)18-5-2-3-6-18/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,24,27)
InChIKeyKNROGGMCISWPPI-UHFFFAOYSA-N
XLogP2.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]pyrazole-4-carboxamide
CID 166306826
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
CID 83878117
(2S)-2-(cyclopropylmethoxy)-N-[[(2S)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541183
(2R)-2-(cyclopropylmethoxy)-N-[[(2R)-2-methylthiolan-2-yl]methyl]propanamide
CID 96541187
2-(cyclopropylmethoxy)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458347
(2S)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069985
(2R)-2-[(1-cyclohexylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 97069986
3-[2-(cyclopropylmethoxy)propanoylamino]-2-methylpropanoic acid
CID 115731415
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 166264505
(2S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide
CID 94800140
2-(cyclopropylmethoxy)-N-(2-sulfamoylpropyl)propanamide
CID 75396913

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide (CID 167825122) is 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide is CC(OCC1CC1)C(=O)NCC1(NC(=O)c2cnn(C3CCCC3)c2)CCC1.
What is the InChIKey of 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide?
The InChIKey is KNROGGMCISWPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-15(28-13-16-7-8-16)19(26)22-14-21(9-4-10-21)24-20(27)17-11-23-25(12-17)18-5-2-3-6-18/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,24,27).
What are the key properties of 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide?
1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[1-[[2-(cyclopropylmethoxy)propanoylamino]methyl]cyclobutyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167825122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).