N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C21H34N4O2 — CID 92638024

IUPACN-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C21H34N4O2/c1-15(2)12-20(26)25-10-8-16(9-11-25)13-19-18(14-24(3)23-19)21(27)22-17-6-4-5-7-17/h14-17H,4-13H2,1-3H3,(H,22,27)
InChIKeyUHQPFUKAZXYVAB-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.92
Rot. Bonds6

About N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92638024) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92638024
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1
InChIInChI=1S/C21H34N4O2/c1-15(2)12-20(26)25-10-8-16(9-11-25)13-19-18(14-24(3)23-19)21(27)22-17-6-4-5-7-17/h14-17H,4-13H2,1-3H3,(H,22,27)
InChIKeyUHQPFUKAZXYVAB-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]methyl]-N-cyclopentyl-1-methylpyrazole-4-carboxamide
CID 92637670
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
CID 120626448
3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154736522
3-[(1-cyclopentylpiperidin-4-yl)methyl]-1-methyl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 92637469
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92638024) is N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CC(C)CC(=O)N1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is UHQPFUKAZXYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-15(2)12-20(26)25-10-8-16(9-11-25)13-19-18(14-24(3)23-19)21(27)22-17-6-4-5-7-17/h14-17H,4-13H2,1-3H3,(H,22,27).
What are the key properties of N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-3-[[1-(3-methylbutanoyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92638024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).