N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

C19H25N3O2 — CID 16677175

IUPACN-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C19H25N3O2/c1-24-17-12-6-5-8-14(17)9-7-13-20-19(23)18-15-10-3-2-4-11-16(15)21-22-18/h5-6,8,12H,2-4,7,9-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyXQYRNWCWNILKLG-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.05
Rot. Bonds6

About N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide

N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (PubChem CID 16677175) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
PubChem CID16677175
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1n[nH]c2c1CCCCC2
InChIInChI=1S/C19H25N3O2/c1-24-17-12-6-5-8-14(17)9-7-13-20-19(23)18-15-10-3-2-4-11-16(15)21-22-18/h5-6,8,12H,2-4,7,9-11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyXQYRNWCWNILKLG-UHFFFAOYSA-N
XLogP3.05
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2-methoxyphenyl)acetyl]-N-(3-methoxypropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46076050
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
N-[3-(1H-benzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71705377
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
2-(dimethylamino)-N-[3-(2-methoxyphenyl)propyl]pyrimidine-5-carboxamide
CID 46963233
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75489467
N-[(2,3-dimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 696852
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
N-[3-(2-methoxyphenyl)propyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 46963232

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide (CID 16677175) is N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is COc1ccccc1CCCNC(=O)c1n[nH]c2c1CCCCC2.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
The InChIKey is XQYRNWCWNILKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-24-17-12-6-5-8-14(17)9-7-13-20-19(23)18-15-10-3-2-4-11-16(15)21-22-18/h5-6,8,12H,2-4,7,9-11,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide?
N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 16677175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).