4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C13H23N5O — CID 66120254

IUPAC4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-15-13(19)12-11(14)9(2)16-17(12)3/h10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyYQDIYMWRLPKWBP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.52
Rot. Bonds4

About 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66120254) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66120254
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCCN1CCCC1CNC(=O)c1c(N)c(C)nn1C
InChIInChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-15-13(19)12-11(14)9(2)16-17(12)3/h10H,4-8,14H2,1-3H3,(H,15,19)
InChIKeyYQDIYMWRLPKWBP-UHFFFAOYSA-N
XLogP0.52
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66123047
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 93016515
5-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxybenzamide
CID 827298
4-amino-2-(dimethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668742
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
4-amino-1,3-dimethyl-N-(1-propylpiperidin-4-yl)pyrazole-5-carboxamide
CID 66123805
4-amino-1-ethyl-3-methyl-N-(thiolan-2-ylmethyl)pyrazole-5-carboxamide
CID 80585058
5-amino-N-[(1-ethylpiperidin-2-yl)methyl]-2-methylbenzamide
CID 120646104
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzamide
CID 16781423
4-amino-2-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116668738

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66120254) is 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is CCN1CCCC1CNC(=O)c1c(N)c(C)nn1C.
What is the InChIKey of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YQDIYMWRLPKWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-15-13(19)12-11(14)9(2)16-17(12)3/h10H,4-8,14H2,1-3H3,(H,15,19).
What are the key properties of 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).