5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

C18H31N5O — CID 95210640

IUPAC5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC[C@@H]2CCN(C3CCN(C)CC3)C2)c1C
InChIInChI=1S/C18H31N5O/c1-4-16-13(2)17(21-20-16)18(24)19-11-14-5-10-23(12-14)15-6-8-22(3)9-7-15/h14-15H,4-12H2,1-3H3,(H,19,24)(H,20,21)/t14-/m0/s1
InChIKeyGCOIZHIDCJSICW-AWEZNQCLSA-N
MW333.48 g/mol
LogP1.43
Rot. Bonds5

About 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide

5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 95210640) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID95210640
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC[C@@H]2CCN(C3CCN(C)CC3)C2)c1C
InChIInChI=1S/C18H31N5O/c1-4-16-13(2)17(21-20-16)18(24)19-11-14-5-10-23(12-14)15-6-8-22(3)9-7-15/h14-15H,4-12H2,1-3H3,(H,19,24)(H,20,21)/t14-/m0/s1
InChIKeyGCOIZHIDCJSICW-AWEZNQCLSA-N
XLogP1.43
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56716648
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CID 60855101
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513081
4-amino-5-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 63233091
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
N-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3,5-dimethylimidazole-4-carboxamide
CID 125446440
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 60567051
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2H-triazole-4-carboxamide
CID 125439680
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide (CID 95210640) is 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC[C@@H]2CCN(C3CCN(C)CC3)C2)c1C.
What is the InChIKey of 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GCOIZHIDCJSICW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-16-13(2)17(21-20-16)18(24)19-11-14-5-10-23(12-14)15-6-8-22(3)9-7-15/h14-15H,4-12H2,1-3H3,(H,19,24)(H,20,21)/t14-/m0/s1.
What are the key properties of 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide?
5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95210640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).