4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide

C13H23N5O — CID 79304547

IUPAC4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C13H23N5O/c1-4-18-12(11(14)8-15-18)13(19)17(3)9-10-6-5-7-16(10)2/h8,10H,4-7,9,14H2,1-3H3
InChIKeyDBJHBXHCMNHZLK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.65
Rot. Bonds4

About 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 79304547) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID79304547
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C13H23N5O/c1-4-18-12(11(14)8-15-18)13(19)17(3)9-10-6-5-7-16(10)2/h8,10H,4-7,9,14H2,1-3H3
InChIKeyDBJHBXHCMNHZLK-UHFFFAOYSA-N
XLogP0.65
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-methyl-N-(3-methylbutyl)pyrazole-5-carboxamide
CID 65357697
4-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 79303600
4-amino-N-cyclopropyl-N,1-diethylpyrazole-5-carboxamide
CID 65357045
4-amino-1-ethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazole-5-carboxamide
CID 65357053
(4-amino-1-ethylpyrazol-5-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 65358580
4-amino-1-ethyl-N-(4-ethylcyclohexyl)-N-methylpyrazole-5-carboxamide
CID 65358607
4-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 81248561
3,5-dihydroxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 107704093
4-amino-N-[(2,2-dimethylcyclopropyl)methyl]-1-ethylpyrazole-5-carboxamide
CID 114107119
5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 79315921
4-amino-2-[ethyl(methyl)amino]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671275
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide (CID 79304547) is 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)CC1CCCN1C.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is DBJHBXHCMNHZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-18-12(11(14)8-15-18)13(19)17(3)9-10-6-5-7-16(10)2/h8,10H,4-7,9,14H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 79304547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).