5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide

C14H24N4O — CID 63372842

IUPAC5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-10(2)13(18-6-4-5-7-18)9-15-14(19)12-8-16-17-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyBCVKWYKNYLNUMO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.57
Rot. Bonds5

About 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide

5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 63372842) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID63372842
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NCC(C(C)C)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-10(2)13(18-6-4-5-7-18)9-15-14(19)12-8-16-17-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,15,19)(H,16,17)
InChIKeyBCVKWYKNYLNUMO-UHFFFAOYSA-N
XLogP1.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
N-(2-bromo-2-cyclopropylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114315935
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 63049087
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-(3-iodopropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114504025
N-(2-chloro-2-phenylethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 113271434
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
2-(5-amino-2-pyridinyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)acetamide
CID 107338304

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide (CID 63372842) is 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NCC(C(C)C)N1CCCC1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is BCVKWYKNYLNUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13(18-6-4-5-7-18)9-15-14(19)12-8-16-17-11(12)3/h8,10,13H,4-7,9H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide?
5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63372842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).