N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C18H23N5O2 — CID 134050806

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCC2NNCC2C1
InChIInChI=1S/C18H23N5O2/c1-25-16-11-23(14-5-3-2-4-6-14)22-17(16)18(24)20-13-7-8-15-12(9-13)10-19-21-15/h2-6,11-13,15,19,21H,7-10H2,1H3,(H,20,24)
InChIKeyHQXIMTMKDVTEJW-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.26
Rot. Bonds4

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 134050806) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID134050806
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)NC1CCC2NNCC2C1
InChIInChI=1S/C18H23N5O2/c1-25-16-11-23(14-5-3-2-4-6-14)22-17(16)18(24)20-13-7-8-15-12(9-13)10-19-21-15/h2-6,11-13,15,19,21H,7-10H2,1H3,(H,20,24)
InChIKeyHQXIMTMKDVTEJW-UHFFFAOYSA-N
XLogP1.26
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

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CID 119229795
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CID 55381308
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-4-methoxy-1-phenylpyrazole-3-carboxamide
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N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
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4-(2-methylpropoxy)-1-phenyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
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[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
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4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 134050806) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)NC1CCC2NNCC2C1.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is HQXIMTMKDVTEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-16-11-23(14-5-3-2-4-6-14)22-17(16)18(24)20-13-7-8-15-12(9-13)10-19-21-15/h2-6,11-13,15,19,21H,7-10H2,1H3,(H,20,24).
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-5-yl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 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-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 134050806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).