(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride

C16H23Cl2N5O — CID 119871304

IUPAC(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCCN1
InChIInChI=1S/C16H21N5O.2ClH/c22-16(14-3-1-2-8-18-14)19-15-7-12-21(20-15)11-6-13-4-9-17-10-5-13;;/h4-5,7,9-10,12,14,18H,1-3,6,8,11H2,(H,19,20,22);2*1H/t14-;;/m1../s1
InChIKeyIKQWXCHOWCWTKC-FMOMHUKBSA-N
MW372.30 g/mol
LogP2.44
Rot. Bonds5

About (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119871304) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119871304
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCCN1
InChIInChI=1S/C16H21N5O.2ClH/c22-16(14-3-1-2-8-18-14)19-15-7-12-21(20-15)11-6-13-4-9-17-10-5-13;;/h4-5,7,9-10,12,14,18H,1-3,6,8,11H2,(H,19,20,22);2*1H/t14-;;/m1../s1
InChIKeyIKQWXCHOWCWTKC-FMOMHUKBSA-N
XLogP2.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 119871307
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 154802243
N-[1-(2-methoxyethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314318
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 154863475
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119871345
N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-3-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314338
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119871296
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride (CID 119871304) is (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is IKQWXCHOWCWTKC-FMOMHUKBSA-N. The full InChI is InChI=1S/C16H21N5O.2ClH/c22-16(14-3-1-2-8-18-14)19-15-7-12-21(20-15)11-6-13-4-9-17-10-5-13;;/h4-5,7,9-10,12,14,18H,1-3,6,8,11H2,(H,19,20,22);2*1H/t14-;;/m1../s1.
What are the key properties of (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119871304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).