N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide

C19H18ClN5O — CID 46962535

IUPACN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C19H18ClN5O/c20-14-4-1-3-13(9-14)12-25-18-6-2-5-16(15(18)10-23-25)24-19(26)17-11-21-7-8-22-17/h1,3-4,7-11,16H,2,5-6,12H2,(H,24,26)
InChIKeyCIEBYHWKUPPIIP-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.18
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide

N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide (PubChem CID 46962535) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
PubChem CID46962535
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cnccn1
InChIInChI=1S/C19H18ClN5O/c20-14-4-1-3-13(9-14)12-25-18-6-2-5-16(15(18)10-23-25)24-19(26)17-11-21-7-8-22-17/h1,3-4,7-11,16H,2,5-6,12H2,(H,24,26)
InChIKeyCIEBYHWKUPPIIP-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46962538
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-[(4S)-1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyridine-4-carboxamide
CID 95856441
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 167788077
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]-2,5-difluorobenzamide
CID 31899002
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 110236802
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
CID 167925388

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide (CID 46962535) is N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide is O=C(NC1CCCc2c1cnn2Cc1cccc(Cl)c1)c1cnccn1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
The InChIKey is CIEBYHWKUPPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-14-4-1-3-13(9-14)12-25-18-6-2-5-16(15(18)10-23-25)24-19(26)17-11-21-7-8-22-17/h1,3-4,7-11,16H,2,5-6,12H2,(H,24,26).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide?
N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 46962535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).