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

C15H21Cl2N5O — CID 119871238

IUPACN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CCCNC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-6-17-10-13)18-14-5-9-20(19-14)11-12-3-7-16-8-4-12;;/h3-5,7-9,13,17H,1-2,6,10-11H2,(H,18,19,21);2*1H
InChIKeyFCXHZIJDHQOXAO-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.11
Rot. Bonds4

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

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119871238) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119871238
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CCCNC1
InChIInChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-6-17-10-13)18-14-5-9-20(19-14)11-12-3-7-16-8-4-12;;/h3-5,7-9,13,17H,1-2,6,10-11H2,(H,18,19,21);2*1H
InChIKeyFCXHZIJDHQOXAO-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-(pyridin-4-ylmethyl)pyrazol-4-yl]piperidine-3-carboxamide;dihydrochloride
CID 119871178
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119871296
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19284488
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871275
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
(2R,3S)-2-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 120940633
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
N-(1-benzylpyrazol-4-yl)piperidine-3-carboxamide
CID 60946173

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride (CID 119871238) is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccn(Cc2ccncc2)n1)C1CCCNC1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is FCXHZIJDHQOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c21-15(13-2-1-6-17-10-13)18-14-5-9-20(19-14)11-12-3-7-16-8-4-12;;/h3-5,7-9,13,17H,1-2,6,10-11H2,(H,18,19,21);2*1H.
What are the key properties of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
N-[1-(pyridin-4-ylmethyl)pyrazol-3-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-3-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119871238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).