5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride

C9H15ClN4O — CID 126780501

IUPAC5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C9H14N4O.ClH/c10-9(14)7-5-12-13-8(7)6-2-1-3-11-4-6;/h5-6,11H,1-4H2,(H2,10,14)(H,12,13);1H
InChIKeyPTFJXTKNLDBWHJ-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.40
Rot. Bonds2

About 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride

5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 126780501) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID126780501
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C9H14N4O.ClH/c10-9(14)7-5-12-13-8(7)6-2-1-3-11-4-6;/h5-6,11H,1-4H2,(H2,10,14)(H,12,13);1H
InChIKeyPTFJXTKNLDBWHJ-UHFFFAOYSA-N
XLogP0.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
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5-piperidin-3-yl-N-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyrazole-4-carboxamide
CID 167767825
(3S)-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
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5-[(3R)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 92615149
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 125171992
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
3-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 82380463
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
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1-(5-cyclopropyl-1H-pyrazol-4-yl)ethanone
CID 83872450
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]-5-pyrrolidin-3-yl-1H-pyrazole-4-carboxamide
CID 167774780

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride (CID 126780501) is 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride is Cl.NC(=O)c1cn[nH]c1C1CCCNC1.
What is the InChIKey of 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is PTFJXTKNLDBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O.ClH/c10-9(14)7-5-12-13-8(7)6-2-1-3-11-4-6;/h5-6,11H,1-4H2,(H2,10,14)(H,12,13);1H.
What are the key properties of 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride?
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 230.70 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 126780501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).