N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C23H29N7O — CID 91821040

IUPACN-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(CC(C)C)c2nc3ccccc3n2C)[nH]n1
InChIInChI=1S/C23H29N7O/c1-13(2)11-18(22-24-16-9-7-8-10-20(16)29(22)5)25-23(31)19-12-17(26-27-19)21-14(3)28-30(6)15(21)4/h7-10,12-13,18H,11H2,1-6H3,(H,25,31)(H,26,27)
InChIKeyRYAVXEHGOGCTST-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.83
Rot. Bonds6

About N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 91821040) has the molecular formula C23H29N7O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID91821040
Molecular FormulaC23H29N7O
Molecular Weight419.53 g/mol
Exact Mass419.24
IUPAC NameN-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC(CC(C)C)c2nc3ccccc3n2C)[nH]n1
InChIInChI=1S/C23H29N7O/c1-13(2)11-18(22-24-16-9-7-8-10-20(16)29(22)5)25-23(31)19-12-17(26-27-19)21-14(3)28-30(6)15(21)4/h7-10,12-13,18H,11H2,1-6H3,(H,25,31)(H,26,27)
InChIKeyRYAVXEHGOGCTST-UHFFFAOYSA-N
XLogP3.83
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 124841345
N-[1-(2-chlorophenyl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880599
N-[(1R)-3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124851250
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204343
N-(2-amino-1-cyclopropylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119617698
N-(2-propan-2-ylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881659
N-[1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 91822632
N-(4-chlorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879764
N-(3-amino-2-methylpropyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119998304
N-(2-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880294
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78882620

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 91821040) is N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC(CC(C)C)c2nc3ccccc3n2C)[nH]n1.
What is the InChIKey of N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RYAVXEHGOGCTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O/c1-13(2)11-18(22-24-16-9-7-8-10-20(16)29(22)5)25-23(31)19-12-17(26-27-19)21-14(3)28-30(6)15(21)4/h7-10,12-13,18H,11H2,1-6H3,(H,25,31)(H,26,27).
What are the key properties of N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1-methylbenzimidazol-2-yl)butyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91821040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).