3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide

C11H19N5O — CID 64525612

IUPAC3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-2-16-4-3-8(7-16)6-13-11(17)9-5-10(12)15-14-9/h5,8H,2-4,6-7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyCUNLDGMNUMJACH-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.06
Rot. Bonds4

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

3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 64525612) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID64525612
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCCN1CCC(CNC(=O)c2cc(N)n[nH]2)C1
InChIInChI=1S/C11H19N5O/c1-2-16-4-3-8(7-16)6-13-11(17)9-5-10(12)15-14-9/h5,8H,2-4,6-7H2,1H3,(H,13,17)(H3,12,14,15)
InChIKeyCUNLDGMNUMJACH-UHFFFAOYSA-N
XLogP0.06
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 54927297
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
3-amino-N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 125157238
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807019
N-[(1-ethylpyrrolidin-3-yl)methyl]-2H-triazole-4-carboxamide
CID 78968368
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 60856399
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
4-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688692
5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 61242484
3-amino-5-bromo-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylbenzamide
CID 107872280
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62237077
6-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60855368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 64525612) is 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is CCN1CCC(CNC(=O)c2cc(N)n[nH]2)C1.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CUNLDGMNUMJACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-2-16-4-3-8(7-16)6-13-11(17)9-5-10(12)15-14-9/h5,8H,2-4,6-7H2,1H3,(H,13,17)(H3,12,14,15).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).