N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

C22H21N5O — CID 67107127

IUPACN-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2cc(-c3cn[nH]c3)ccc12)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H21N5O/c28-22(27(14-16-6-7-16)13-15-4-2-1-3-5-15)21-19-9-8-17(10-20(19)25-26-21)18-11-23-24-12-18/h1-5,8-12,16H,6-7,13-14H2,(H,23,24)(H,25,26)
InChIKeyDIEFHKYLRPADOQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.01
Rot. Bonds6

About N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide

N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 67107127) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID67107127
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESO=C(c1n[nH]c2cc(-c3cn[nH]c3)ccc12)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C22H21N5O/c28-22(27(14-16-6-7-16)13-15-4-2-1-3-5-15)21-19-9-8-17(10-20(19)25-26-21)18-11-23-24-12-18/h1-5,8-12,16H,6-7,13-14H2,(H,23,24)(H,25,26)
InChIKeyDIEFHKYLRPADOQ-UHFFFAOYSA-N
XLogP4.01
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide (CID 67107127) is N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is O=C(c1n[nH]c2cc(-c3cn[nH]c3)ccc12)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is DIEFHKYLRPADOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-22(27(14-16-6-7-16)13-15-4-2-1-3-5-15)21-19-9-8-17(10-20(19)25-26-21)18-11-23-24-12-18/h1-5,8-12,16H,6-7,13-14H2,(H,23,24)(H,25,26).
What are the key properties of N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide?
N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyclopropylmethyl)-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 67107127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).