N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide

C11H18N4O — CID 43582663

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c1-2-15-5-3-4-10(15)8-12-11(16)9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14)
InChIKeySHWFNMDPVOPNTA-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.62
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 43582663) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID43582663
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCCN1CCCC1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C11H18N4O/c1-2-15-5-3-4-10(15)8-12-11(16)9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14)
InChIKeySHWFNMDPVOPNTA-UHFFFAOYSA-N
XLogP0.62
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-pyrazol-4-yl)methanone
CID 45239009
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
1-(1H-pyrazole-4-carbonyl)piperidin-4-amine
CID 43565570
N-{[1-(dimethylamino)cyclohexyl]methyl}-1H-pyrazole-4-carboxamide
CID 61249302
1-{3-[(1H-pyrazol-4-ylcarbonyl)amino]propyl}piperidine-4-carboxamide
CID 91834090
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-1H-pyrazole-4-carboxamide
CID 91843924
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 99948671
N-(4,4-difluorocyclohexyl)-1H-pyrazole-4-carboxamide
CID 122160170
2-(1H-pyrazol-4-ylcarbonyl)-2-azaspiro[4.4]nonane
CID 124205376
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 125526617

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 43582663) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide is CCN1CCCC1CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SHWFNMDPVOPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-5-3-4-10(15)8-12-11(16)9-6-13-14-7-9/h6-7,10H,2-5,8H2,1H3,(H,12,16)(H,13,14).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).