N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide

C18H23N5O — CID 134037527

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC2NNCC2C1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H23N5O/c24-18(21-16-6-7-17-15(10-16)11-19-22-17)14-4-2-13(3-5-14)12-23-9-1-8-20-23/h1-5,8-9,15-17,19,22H,6-7,10-12H2,(H,21,24)
InChIKeyAKCQGTUWRSAJSW-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.31
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 134037527) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID134037527
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NC1CCC2NNCC2C1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H23N5O/c24-18(21-16-6-7-17-15(10-16)11-19-22-17)14-4-2-13(3-5-14)12-23-9-1-8-20-23/h1-5,8-9,15-17,19,22H,6-7,10-12H2,(H,21,24)
InChIKeyAKCQGTUWRSAJSW-UHFFFAOYSA-N
XLogP1.31
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide with MolForge

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Related Compounds

N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 25122012
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 56658415
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56668800
N-(1-benzylpyrazol-4-yl)-6-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 90036766
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide
CID 891700
US9533987, example 126
CID 135120964
US11427558, Example 163
CID 165436863
US11427558, Example 165
CID 165436865
US11427558, Example 167
CID 165436867
US11427558, Example 177
CID 165436876
US11427558, Example 192
CID 165436889
US11427558, Example 193
CID 165436890

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide (CID 134037527) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide is O=C(NC1CCC2NNCC2C1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is AKCQGTUWRSAJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(21-16-6-7-17-15(10-16)11-19-22-17)14-4-2-13(3-5-14)12-23-9-1-8-20-23/h1-5,8-9,15-17,19,22H,6-7,10-12H2,(H,21,24).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 134037527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).