N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide

C21H24ClN5O — CID 167848496

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1Cl
InChIInChI=1S/C21H24ClN5O/c1-14(2)27-20(22)17(12-24-27)21(28)25-18-9-6-10-19-16(18)11-23-26(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14,18H,6,9-10,13H2,1-2H3,(H,25,28)
InChIKeyIEZKUUMGUQZSEC-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.17
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 167848496) has the molecular formula C21H24ClN5O and a molecular weight of 397.91 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID167848496
Molecular FormulaC21H24ClN5O
Molecular Weight397.91 g/mol
Exact Mass397.17
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1Cl
InChIInChI=1S/C21H24ClN5O/c1-14(2)27-20(22)17(12-24-27)21(28)25-18-9-6-10-19-16(18)11-23-26(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14,18H,6,9-10,13H2,1-2H3,(H,25,28)
InChIKeyIEZKUUMGUQZSEC-UHFFFAOYSA-N
XLogP4.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
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N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
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N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
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N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
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CID 110237441
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
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CID 78903546
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide (CID 167848496) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1Cl.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IEZKUUMGUQZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O/c1-14(2)27-20(22)17(12-24-27)21(28)25-18-9-6-10-19-16(18)11-23-26(19)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14,18H,6,9-10,13H2,1-2H3,(H,25,28).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 167848496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).