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

C13H23N5O — CID 79315633

IUPAC3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-17(3)13(19)11-9(2)15-16-12(11)14/h10H,4-8H2,1-3H3,(H3,14,15,16)
InChIKeyCRQBLTMXRKXEJP-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.86
Rot. Bonds4

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

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 79315633) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID79315633
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)c1c(N)n[nH]c1C
InChIInChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-17(3)13(19)11-9(2)15-16-12(11)14/h10H,4-8H2,1-3H3,(H3,14,15,16)
InChIKeyCRQBLTMXRKXEJP-UHFFFAOYSA-N
XLogP0.86
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 79314331
3-amino-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
CID 63858324
4-amino-3,5-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 82813502
4-amino-1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrole-2-carboxamide
CID 79303494
5-amino-2,3-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzamide
CID 107185486
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 103890012
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79313970
3-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79308845

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 79315633) is 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide is CCN1CCCC1CN(C)C(=O)c1c(N)n[nH]c1C.
What is the InChIKey of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CRQBLTMXRKXEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18-7-5-6-10(18)8-17(3)13(19)11-9(2)15-16-12(11)14/h10H,4-8H2,1-3H3,(H3,14,15,16).
What are the key properties of 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide?
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).