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

C22H20N8O — CID 90645540

IUPACN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CC(c3cn[nH]c3)CC4)cn2)c1
InChIInChI=1S/C22H20N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-7-16(17-9-24-25-10-17)4-5-20(19)28-29-21/h1-3,6,9-11,13,16H,4-5,7,12H2,(H,24,25)(H,27,31)(H,28,29)
InChIKeyNRJLSFKZAQFLCT-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.77
Rot. Bonds5

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

N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 90645540) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID90645540
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CC(c3cn[nH]c3)CC4)cn2)c1
InChIInChI=1S/C22H20N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-7-16(17-9-24-25-10-17)4-5-20(19)28-29-21/h1-3,6,9-11,13,16H,4-5,7,12H2,(H,24,25)(H,27,31)(H,28,29)
InChIKeyNRJLSFKZAQFLCT-UHFFFAOYSA-N
XLogP2.77
TPSA128.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 90645540) is N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-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]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CC(c3cn[nH]c3)CC4)cn2)c1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NRJLSFKZAQFLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c23-8-14-2-1-3-15(6-14)12-30-13-18(11-26-30)27-22(31)21-19-7-16(17-9-24-25-10-17)4-5-20(19)28-29-21/h1-3,6,9-11,13,16H,4-5,7,12H2,(H,24,25)(H,27,31)(H,28,29).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 90645540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).