1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile

C25H21N5 — CID 18677104

IUPAC1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)nn1-c1ccc(NCC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H21N5/c26-15-24-14-25(21-6-3-11-27-17-21)29-30(24)23-9-7-22(8-10-23)28-16-18-12-19-4-1-2-5-20(19)13-18/h1-11,14,17-18,28H,12-13,16H2
InChIKeySLJXCMIFADRNKB-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.63
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile

1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile (PubChem CID 18677104) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile
PubChem CID18677104
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile
SMILESN#Cc1cc(-c2cccnc2)nn1-c1ccc(NCC2Cc3ccccc3C2)cc1
InChIInChI=1S/C25H21N5/c26-15-24-14-25(21-6-3-11-27-17-21)29-30(24)23-9-7-22(8-10-23)28-16-18-12-19-4-1-2-5-20(19)13-18/h1-11,14,17-18,28H,12-13,16H2
InChIKeySLJXCMIFADRNKB-UHFFFAOYSA-N
XLogP4.63
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-pyridin-3-ylpyrazol-1-yl)benzonitrile
CID 174630636
4-(5-isocyano-3-pyridin-3-ylpyrazol-1-yl)-N-[(1-methylindol-2-yl)methyl]aniline
CID 123385041
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)aniline
CID 18677149
2-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-5-pyridin-3-yl-1,2,4-triazole-3-carbonitrile
CID 18425868
N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylsulfanyl-3-pyridin-3-ylpyrazol-1-yl)aniline
CID 18677158
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
1-[4-[(2,6-dimethylphenyl)methylamino]phenyl]-4-pyridin-3-ylimidazole-2-carbonitrile
CID 10271083
N-(cyclopropylmethyl)-2-pyridin-3-yl-1,3-benzothiazol-6-amine
CID 125495213
4-[5-[4-(5-ethyl-3-pyridin-3-ylpyrazol-1-yl)anilino]naphthalen-2-yl]oxybutanenitrile
CID 23551643
2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126925944
5-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126943277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile?
The IUPAC name of 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile (CID 18677104) is 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile is N#Cc1cc(-c2cccnc2)nn1-c1ccc(NCC2Cc3ccccc3C2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile?
The InChIKey is SLJXCMIFADRNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c26-15-24-14-25(21-6-3-11-27-17-21)29-30(24)23-9-7-22(8-10-23)28-16-18-12-19-4-1-2-5-20(19)13-18/h1-11,14,17-18,28H,12-13,16H2.
What are the key properties of 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile?
1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile has a molecular weight of 391.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]-3-pyridin-3-ylpyrazole-5-carbonitrile is sourced from PubChem (CID 18677104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).