N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C19H21N5O — CID 90036766

IUPACN-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1
InChIInChI=1S/C19H21N5O/c1-13-7-8-16-17(9-13)22-23-18(16)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyDTMLASFEUYRUGI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.03
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 90036766) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID90036766
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC1CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1
InChIInChI=1S/C19H21N5O/c1-13-7-8-16-17(9-13)22-23-18(16)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyDTMLASFEUYRUGI-UHFFFAOYSA-N
XLogP3.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 90036766) is N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC1CCc2c(C(=O)Nc3cnn(Cc4ccccc4)c3)n[nH]c2C1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is DTMLASFEUYRUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-7-8-16-17(9-13)22-23-18(16)19(25)21-15-10-20-24(12-15)11-14-5-3-2-4-6-14/h2-6,10,12-13H,7-9,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 90036766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).