N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide

C19H25N5O — CID 75129510

IUPACN-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CCCC2CNNC21
InChIInChI=1S/C19H25N5O/c25-19(17-8-4-5-15-12-21-23-18(15)17)20-10-9-14-11-22-24(13-14)16-6-2-1-3-7-16/h1-3,6-7,11,13,15,17-18,21,23H,4-5,8-10,12H2,(H,20,25)
InChIKeyUTVQRBNQWTYFAT-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.42
Rot. Bonds5

About N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide

N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide (PubChem CID 75129510) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
PubChem CID75129510
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CCCC2CNNC21
InChIInChI=1S/C19H25N5O/c25-19(17-8-4-5-15-12-21-23-18(15)17)20-10-9-14-11-22-24(13-14)16-6-2-1-3-7-16/h1-3,6-7,11,13,15,17-18,21,23H,4-5,8-10,12H2,(H,20,25)
InChIKeyUTVQRBNQWTYFAT-UHFFFAOYSA-N
XLogP1.42
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 134000864
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-piperidin-3-ylbutanamide
CID 119700590
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 72865599
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide?
The IUPAC name of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide (CID 75129510) is N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide?
The canonical SMILES for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)C1CCCC2CNNC21.
What is the InChIKey of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide?
The InChIKey is UTVQRBNQWTYFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(17-8-4-5-15-12-21-23-18(15)17)20-10-9-14-11-22-24(13-14)16-6-2-1-3-7-16/h1-3,6-7,11,13,15,17-18,21,23H,4-5,8-10,12H2,(H,20,25).
What are the key properties of N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide?
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide is sourced from PubChem (CID 75129510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).