N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

C22H21N5O — CID 118960250

IUPACN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26)
InChIKeyQOHBWKYBTSWNGX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.45
Rot. Bonds5

About N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide

N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (PubChem CID 118960250) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
PubChem CID118960250
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide
SMILESCn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1
InChIInChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26)
InChIKeyQOHBWKYBTSWNGX-UHFFFAOYSA-N
XLogP3.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide (CID 118960250) is N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(=O)NC5CC5)cc34)cc2)cn1.
What is the InChIKey of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
The InChIKey is QOHBWKYBTSWNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27-13-17(12-23-27)15-4-2-14(3-5-15)10-21-19-11-16(6-9-20(19)25-26-21)22(28)24-18-7-8-18/h2-6,9,11-13,18H,7-8,10H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 118960250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).