N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide

C23H22N6O — CID 150533442

IUPACN-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(Cn3cc(-c4cccc(NC(=O)C5CC5)c4)nn3)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-14-20(12-24-28)17-7-5-16(6-8-17)13-29-15-22(26-27-29)19-3-2-4-21(11-19)25-23(30)18-9-10-18/h2-8,11-12,14-15,18H,9-10,13H2,1H3,(H,25,30)
InChIKeyIEIGLLZCPLOVEA-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.74
Rot. Bonds6

About N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide

N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 150533442) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID150533442
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(Cn3cc(-c4cccc(NC(=O)C5CC5)c4)nn3)cc2)cn1
InChIInChI=1S/C23H22N6O/c1-28-14-20(12-24-28)17-7-5-16(6-8-17)13-29-15-22(26-27-29)19-3-2-4-21(11-19)25-23(30)18-9-10-18/h2-8,11-12,14-15,18H,9-10,13H2,1H3,(H,25,30)
InChIKeyIEIGLLZCPLOVEA-UHFFFAOYSA-N
XLogP3.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methyl)benzamide
CID 25158261
(4r)-4-Methyl-6-[1-Methyl-3-(1-Methyl-1h-Pyrazol-4-Yl)-1h-Indazol-5-Yl]-1,3,4,5-Tetrahydro-2h-1,5-Benzodiazepin-2-One
CID 121271792
4-(4-Methylphenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152221091
4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 844489
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 90036766
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
CID 118960270
(4R)-4-methyl-6-[1-(1-phenylethyl)pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277864
N-(1-benzylpyrazol-4-yl)-2-(3-pyridin-2-ylpyrazol-1-yl)acetamide
CID 141484723

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide (CID 150533442) is N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide is Cn1cc(-c2ccc(Cn3cc(-c4cccc(NC(=O)C5CC5)c4)nn3)cc2)cn1.
What is the InChIKey of N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is IEIGLLZCPLOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-28-14-20(12-24-28)17-7-5-16(6-8-17)13-29-15-22(26-27-29)19-3-2-4-21(11-19)25-23(30)18-9-10-18/h2-8,11-12,14-15,18H,9-10,13H2,1H3,(H,25,30).
What are the key properties of N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 150533442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).