N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide

C15H18N4O — CID 140524659

IUPACN-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccn1)C1NNC2=CC=CCCC21
InChIInChI=1S/C15H18N4O/c20-15(17-10-11-6-4-5-9-16-11)14-12-7-2-1-3-8-13(12)18-19-14/h1,3-6,8-9,12,14,18-19H,2,7,10H2,(H,17,20)
InChIKeyOLUNSFSFJGWTFD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.02
Rot. Bonds3

About N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide

N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide (PubChem CID 140524659) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide
PubChem CID140524659
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide
SMILESO=C(NCc1ccccn1)C1NNC2=CC=CCCC21
InChIInChI=1S/C15H18N4O/c20-15(17-10-11-6-4-5-9-16-11)14-12-7-2-1-3-8-13(12)18-19-14/h1,3-6,8-9,12,14,18-19H,2,7,10H2,(H,17,20)
InChIKeyOLUNSFSFJGWTFD-UHFFFAOYSA-N
XLogP1.02
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-(pyridin-2-ylmethyl)cyclohex-3-ene-1-carboxamide
CID 35511492
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
N-(pyridin-2-ylmethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170724339
(2R,3S)-3-(pyridin-2-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40635560
cis-(1R,2S)-2-(pyridin-2-ylmethylcarbamoyl)cyclohexane-1-carboxylate
CID 6949299
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)triazolidine-4-carboxamide
CID 133108099
5-oxo-N-(pyridin-2-ylmethyl)morpholine-3-carboxamide
CID 110696717
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
4-hydroxy-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 43120836

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide (CID 140524659) is N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide is O=C(NCc1ccccn1)C1NNC2=CC=CCCC21.
What is the InChIKey of N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide?
The InChIKey is OLUNSFSFJGWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(17-10-11-6-4-5-9-16-11)14-12-7-2-1-3-8-13(12)18-19-14/h1,3-6,8-9,12,14,18-19H,2,7,10H2,(H,17,20).
What are the key properties of N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide?
N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-1,2,3,3a,4,5-hexahydrocyclohepta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 140524659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).