4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine

C20H17N7 — CID 139402374

IUPAC4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
SMILESCc1c(Nc2cc(-c3ccc(-n4cccn4)cc3)[nH]n2)ccc2[nH]cnc12
InChIInChI=1S/C20H17N7/c1-13-16(7-8-17-20(13)22-12-21-17)24-19-11-18(25-26-19)14-3-5-15(6-4-14)27-10-2-9-23-27/h2-12H,1H3,(H,21,22)(H2,24,25,26)
InChIKeyFFUQQXDKEYCHGH-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.19
Rot. Bonds4

About 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine

4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine (PubChem CID 139402374) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
PubChem CID139402374
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC Name4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
SMILESCc1c(Nc2cc(-c3ccc(-n4cccn4)cc3)[nH]n2)ccc2[nH]cnc12
InChIInChI=1S/C20H17N7/c1-13-16(7-8-17-20(13)22-12-21-17)24-19-11-18(25-26-19)14-3-5-15(6-4-14)27-10-2-9-23-27/h2-12H,1H3,(H,21,22)(H2,24,25,26)
InChIKeyFFUQQXDKEYCHGH-UHFFFAOYSA-N
XLogP4.19
TPSA87.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 139392054
(Z)-3-(2-methyl-4-nitroanilino)-3-methylsulfanyl-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one;N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 159723159
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
CID 139405494
4-methyl-5-[[3-(4-pyrazol-1-ylphenyl)-1H-pyrazol-5-yl]methyl]-1H-indazole
CID 158761496
4-(4-pyrazol-1-ylphenyl)-1H-pyridin-2-one
CID 139757385
3-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 115003623
4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazole
CID 141193696
2-fluoro-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43230038
5-phenyl-3-pyrazol-1-yl-1H-pyrazole
CID 173358488
1-[4-[10-(4-pyrazol-1-ylphenyl)anthracen-9-yl]phenyl]pyrazole
CID 142384034
5-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazol-3-amine
CID 134910071

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine?
The IUPAC name of 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine (CID 139402374) is 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine.
What is the SMILES notation for 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine?
The canonical SMILES for 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine is Cc1c(Nc2cc(-c3ccc(-n4cccn4)cc3)[nH]n2)ccc2[nH]cnc12.
What is the InChIKey of 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine?
The InChIKey is FFUQQXDKEYCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-13-16(7-8-17-20(13)22-12-21-17)24-19-11-18(25-26-19)14-3-5-15(6-4-14)27-10-2-9-23-27/h2-12H,1H3,(H,21,22)(H2,24,25,26).
What are the key properties of 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine?
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine has a molecular weight of 355.41 g/mol, XLogP of 4.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine is sourced from PubChem (CID 139402374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).