1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride

C16H29ClN4O — CID 120575921

IUPAC1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NC2CCCNC2C)cnn1C(C)(C)C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-6-14-12(10-18-20(14)16(3,4)5)15(21)19-13-8-7-9-17-11(13)2;/h10-11,13,17H,6-9H2,1-5H3,(H,19,21);1H
InChIKeyPHJJNUWZAXQICM-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.49
Rot. Bonds3

About 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride

1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120575921) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120575921
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NC2CCCNC2C)cnn1C(C)(C)C.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-6-14-12(10-18-20(14)16(3,4)5)15(21)19-13-8-7-9-17-11(13)2;/h10-11,13,17H,6-9H2,1-5H3,(H,19,21);1H
InChIKeyPHJJNUWZAXQICM-UHFFFAOYSA-N
XLogP2.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(2-methylpiperidin-3-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 120575667
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098
N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119590475
1-tert-butyl-5-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119557093
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
1-tert-butyl-5-ethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119535618
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride (CID 120575921) is 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NC2CCCNC2C)cnn1C(C)(C)C.Cl.
What is the InChIKey of 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is PHJJNUWZAXQICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-6-14-12(10-18-20(14)16(3,4)5)15(21)19-13-8-7-9-17-11(13)2;/h10-11,13,17H,6-9H2,1-5H3,(H,19,21);1H.
What are the key properties of 1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride?
1-tert-butyl-5-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 2.49, 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-ethyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120575921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).