N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H22N4O — CID 60856399

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C13H22N4O/c1-4-17-6-5-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyMINLZYKLTLCFEH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds4

About N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 60856399) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID60856399
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C13H22N4O/c1-4-17-6-5-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyMINLZYKLTLCFEH-UHFFFAOYSA-N
XLogP1.10
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525612
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60855101
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-difluorobenzamide
CID 79772808
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 60856399) is N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCN1CCC(CNC(=O)c2c(C)n[nH]c2C)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is MINLZYKLTLCFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17-6-5-11(8-17)7-14-13(18)12-9(2)15-16-10(12)3/h11H,4-8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60856399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).