N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H18N6O — CID 90036498

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCCC4)cn2)c1
InChIInChI=1S/C19H18N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h3-5,8,10,12H,1-2,6-7,11H2,(H,22,26)(H,23,24)
InChIKeyVXUZVATZVGRSHS-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.66
Rot. Bonds4

About N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 90036498) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID90036498
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCCC4)cn2)c1
InChIInChI=1S/C19H18N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h3-5,8,10,12H,1-2,6-7,11H2,(H,22,26)(H,23,24)
InChIKeyVXUZVATZVGRSHS-UHFFFAOYSA-N
XLogP2.66
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 90036498) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCCC4)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is VXUZVATZVGRSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-9-13-4-3-5-14(8-13)11-25-12-15(10-21-25)22-19(26)18-16-6-1-2-7-17(16)23-24-18/h3-5,8,10,12H,1-2,6-7,11H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 90036498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).