3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile

C14H11N5O — CID 166747287

IUPAC3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile
SMILESN#Cc1cccc(C2CC=NN2C(=O)n2ccnc2)c1
InChIInChI=1S/C14H11N5O/c15-9-11-2-1-3-12(8-11)13-4-5-17-19(13)14(20)18-7-6-16-10-18/h1-3,5-8,10,13H,4H2
InChIKeyPANALUVXYQDNRQ-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.16
Rot. Bonds1

About 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile

3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile (PubChem CID 166747287) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile
PubChem CID166747287
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile
SMILESN#Cc1cccc(C2CC=NN2C(=O)n2ccnc2)c1
InChIInChI=1S/C14H11N5O/c15-9-11-2-1-3-12(8-11)13-4-5-17-19(13)14(20)18-7-6-16-10-18/h1-3,5-8,10,13H,4H2
InChIKeyPANALUVXYQDNRQ-UHFFFAOYSA-N
XLogP2.16
TPSA74.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 146237528
1-[2-[4-[(3S)-3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]-5-fluoropyrimidin-4-yl]pyrazole-4-carboxamide
CID 166859812
6-(azetidin-3-yloxy)-3,5-difluoro-2H-indazole;[3-[(3,5-difluoro-2H-indazol-6-yl)oxy]azetidin-1-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone;imidazol-1-yl-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone;sulfane
CID 159317923
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-piperazin-1-ylmethanone
CID 168806655
CID 131869061
CID 131869061
5-(azetidin-3-ylidenemethyl)-3H-1,3-benzoxazol-2-one;5-[[1-[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazole-2-carbonyl]azetidin-3-ylidene]methyl]-3H-1,3-benzoxazol-2-one;[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-imidazol-1-ylmethanone
CID 160554926
1-(3-cyanophenyl)-3-[(1R,2R)-2-imidazol-1-ylcyclopentyl]urea
CID 95760446
N-(2-chloro-4-cyanophenyl)imidazole-1-carboxamide
CID 114003640
4-(1-imidazol-1-ylethenyl)benzonitrile
CID 11819989
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 162385827
3-fluoro-5-[(3S)-2-[4-[5-fluoro-4-(3-isocyanopyrazol-1-yl)pyrimidin-2-yl]piperazine-1-carbonyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 168824059
3-[(3S)-2-[hydroxy-[4-[4-(1H-pyrazol-5-yl)pyrimidin-2-yl]piperazin-1-yl]methyl]-3,4-dihydropyrazol-3-yl]benzonitrile
CID 166859841

Frequently Asked Questions

What is the IUPAC name of 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile?
The IUPAC name of 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile (CID 166747287) is 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile.
What is the SMILES notation for 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile?
The canonical SMILES for 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile is N#Cc1cccc(C2CC=NN2C(=O)n2ccnc2)c1.
What is the InChIKey of 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile?
The InChIKey is PANALUVXYQDNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-9-11-2-1-3-12(8-11)13-4-5-17-19(13)14(20)18-7-6-16-10-18/h1-3,5-8,10,13H,4H2.
What are the key properties of 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile?
3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(imidazole-1-carbonyl)-3,4-dihydropyrazol-3-yl]benzonitrile is sourced from PubChem (CID 166747287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).