N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide

C20H18ClN5O — CID 24760614

IUPACN-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCn3cccn3)nc2c1
InChIInChI=1S/C20H18ClN5O/c21-18-4-1-3-15(11-18)13-22-20(27)16-5-6-17-14-26(24-19(17)12-16)10-9-25-8-2-7-23-25/h1-8,11-12,14H,9-10,13H2,(H,22,27)
InChIKeyOJVHERRPLOWLNS-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.52
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide

N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide (PubChem CID 24760614) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
PubChem CID24760614
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CCn3cccn3)nc2c1
InChIInChI=1S/C20H18ClN5O/c21-18-4-1-3-15(11-18)13-22-20(27)16-5-6-17-14-26(24-19(17)12-16)10-9-25-8-2-7-23-25/h1-8,11-12,14H,9-10,13H2,(H,22,27)
InChIKeyOJVHERRPLOWLNS-UHFFFAOYSA-N
XLogP3.52
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide (CID 24760614) is N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2cn(CCn3cccn3)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
The InChIKey is OJVHERRPLOWLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-18-4-1-3-15(11-18)13-22-20(27)16-5-6-17-14-26(24-19(17)12-16)10-9-25-8-2-7-23-25/h1-8,11-12,14H,9-10,13H2,(H,22,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2-pyrazol-1-ylethyl)indazole-6-carboxamide is sourced from PubChem (CID 24760614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).