(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

C17H20N4O — CID 98730671

IUPAC(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H20N4O/c22-17(15-10-12-4-5-13(15)9-12)19-16-6-8-21(20-16)11-14-3-1-2-7-18-14/h1-3,6-8,12-13,15H,4-5,9-11H2,(H,19,20,22)/t12-,13-,15-/m0/s1
InChIKeyXUIMQTRXIGCASS-YDHLFZDLSA-N
MW296.37 g/mol
LogP2.70
Rot. Bonds4

About (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98730671) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98730671
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H20N4O/c22-17(15-10-12-4-5-13(15)9-12)19-16-6-8-21(20-16)11-14-3-1-2-7-18-14/h1-3,6-8,12-13,15H,4-5,9-11H2,(H,19,20,22)/t12-,13-,15-/m0/s1
InChIKeyXUIMQTRXIGCASS-YDHLFZDLSA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71881009
1-(cyclopropanecarbonyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
CID 71934842
(3S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94811681
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-4-pyrrol-1-ylbenzamide
CID 51101543
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
2,2-dichloro-1-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 71881007
4-phenyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]butanamide
CID 51101514
3-methyl-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]benzamide
CID 51101562

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide (CID 98730671) is (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is XUIMQTRXIGCASS-YDHLFZDLSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(15-10-12-4-5-13(15)9-12)19-16-6-8-21(20-16)11-14-3-1-2-7-18-14/h1-3,6-8,12-13,15H,4-5,9-11H2,(H,19,20,22)/t12-,13-,15-/m0/s1.
What are the key properties of (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98730671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).