1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

C13H23ClN4O — CID 119511635

IUPAC1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NCC2CCCN2)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9(2)12-7-11(16-17(12)3)13(18)15-8-10-5-4-6-14-10;/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,18);1H
InChIKeyPFKPUBQDRBRSTR-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.45
Rot. Bonds4

About 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride

1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 119511635) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
PubChem CID119511635
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NCC2CCCN2)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9(2)12-7-11(16-17(12)3)13(18)15-8-10-5-4-6-14-10;/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,18);1H
InChIKeyPFKPUBQDRBRSTR-UHFFFAOYSA-N
XLogP1.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
1,5-dimethyl-N-[(6-methylpiperidin-2-yl)methyl]pyrazole-3-carboxamide
CID 114218950
1,3,5-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 55084391
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
4-hydroxy-1-(4-propan-2-ylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119514811
N-(pyrrolidin-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119514663
1,3-dimethyl-N-(pyrrolidin-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119512490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride (CID 119511635) is 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)NCC2CCCN2)nn1C.Cl.
What is the InChIKey of 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is PFKPUBQDRBRSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9(2)12-7-11(16-17(12)3)13(18)15-8-10-5-4-6-14-10;/h7,9-10,14H,4-6,8H2,1-3H3,(H,15,18);1H.
What are the key properties of 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride?
1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119511635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).