1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride

C17H29ClN4O — CID 120577098

IUPAC1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-11-13(6-5-9-18-11)19-16(22)14-10-15(12-7-8-12)21(20-14)17(2,3)4;/h10-13,18H,5-9H2,1-4H3,(H,19,22);1H
InChIKeyAMWFPBTWVVYTNQ-UHFFFAOYSA-N
MW340.90 g/mol
LogP2.81
Rot. Bonds3

About 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride

1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride (PubChem CID 120577098) has the molecular formula C17H29ClN4O and a molecular weight of 340.90 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
PubChem CID120577098
Molecular FormulaC17H29ClN4O
Molecular Weight340.90 g/mol
Exact Mass340.20
IUPAC Name1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl
InChIInChI=1S/C17H28N4O.ClH/c1-11-13(6-5-9-18-11)19-16(22)14-10-15(12-7-8-12)21(20-14)17(2,3)4;/h10-13,18H,5-9H2,1-4H3,(H,19,22);1H
InChIKeyAMWFPBTWVVYTNQ-UHFFFAOYSA-N
XLogP2.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120575921
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
N-(3-aminobutyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide;hydrochloride
CID 119495118
1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide
CID 75469389
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride (CID 120577098) is 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.Cl.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride?
The InChIKey is AMWFPBTWVVYTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.ClH/c1-11-13(6-5-9-18-11)19-16(22)14-10-15(12-7-8-12)21(20-14)17(2,3)4;/h10-13,18H,5-9H2,1-4H3,(H,19,22);1H.
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride?
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120577098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).