N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide

C18H19N5O — CID 94241603

IUPACN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C18H19N5O/c24-18(16-9-10-19-22-16)21-15-7-4-8-17-14(15)11-20-23(17)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,22)(H,21,24)/t15-/m0/s1
InChIKeyAALYQDFMJWKRAE-HNNXBMFYSA-N
MW321.38 g/mol
LogP2.46
Rot. Bonds4

About N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 94241603) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID94241603
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C18H19N5O/c24-18(16-9-10-19-22-16)21-15-7-4-8-17-14(15)11-20-23(17)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,22)(H,21,24)/t15-/m0/s1
InChIKeyAALYQDFMJWKRAE-HNNXBMFYSA-N
XLogP2.46
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
CID 167848496
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
CID 167989084
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide (CID 94241603) is N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is AALYQDFMJWKRAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-18(16-9-10-19-22-16)21-15-7-4-8-17-14(15)11-20-23(17)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,19,22)(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide?
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 94241603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).