5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride

C14H25ClN4O — CID 119463796

IUPAC5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NCC2CCCNC2)n[nH]1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10;/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyKGRPTLXXGCMVBW-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.86
Rot. Bonds3

About 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride

5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119463796) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119463796
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1cc(C(=O)NCC2CCCNC2)n[nH]1.Cl
InChIInChI=1S/C14H24N4O.ClH/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10;/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyKGRPTLXXGCMVBW-UHFFFAOYSA-N
XLogP1.86
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-oxo-N-(piperidin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103805930
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
2-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 75516537
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119459915
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
5-tert-butyl-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 110848079
N-(3-aminocyclobutyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 175943351

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 119463796) is 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)(C)c1cc(C(=O)NCC2CCCNC2)n[nH]1.Cl.
What is the InChIKey of 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is KGRPTLXXGCMVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.ClH/c1-14(2,3)12-7-11(17-18-12)13(19)16-9-10-5-4-6-15-8-10;/h7,10,15H,4-6,8-9H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride?
5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119463796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).