N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 119871178

IUPACN-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCNC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-5-17-8-13)19-14-9-18-20(11-14)10-12-3-6-16-7-4-12;;/h3-4,6-7,9,11,13,17H,1-2,5,8,10H2,(H,19,21);2*1H
InChIKeyNCOMPXBIUDYLSY-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.11
Rot. Bonds4

About N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride

N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119871178) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119871178
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC NameN-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCNC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-5-17-8-13)19-14-9-18-20(11-14)10-12-3-6-16-7-4-12;;/h3-4,6-7,9,11,13,17H,1-2,5,8,10H2,(H,19,21);2*1H
InChIKeyNCOMPXBIUDYLSY-UHFFFAOYSA-N
XLogP2.11
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173
N-(1-benzylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63006125
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871238
(3R)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 81124070
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 119309115
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidine-3-carboxamide
CID 60945562
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871215

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride (CID 119871178) is N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1cnn(Cc2ccncc2)c1)C1CCCNC1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is NCOMPXBIUDYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-5-17-8-13)19-14-9-18-20(11-14)10-12-3-6-16-7-4-12;;/h3-4,6-7,9,11,13,17H,1-2,5,8,10H2,(H,19,21);2*1H.
What are the key properties of N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride?
N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119871178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).