N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide

C19H26N4O — CID 119621404

IUPACN-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c24-19(21-14-13-20-16-8-4-1-2-5-9-16)18-12-15-23(22-18)17-10-6-3-7-11-17/h3,6-7,10-12,15-16,20H,1-2,4-5,8-9,13-14H2,(H,21,24)
InChIKeyHOPKHIAUMDUWFM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.91
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide

N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 119621404) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID119621404
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c24-19(21-14-13-20-16-8-4-1-2-5-9-16)18-12-15-23(22-18)17-10-6-3-7-11-17/h3,6-7,10-12,15-16,20H,1-2,4-5,8-9,13-14H2,(H,21,24)
InChIKeyHOPKHIAUMDUWFM-UHFFFAOYSA-N
XLogP2.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
N-[(1R)-3-amino-1-cyclohexyl-3-oxopropyl]-1-phenylpyrazole-3-carboxamide
CID 95787088
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51078940
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide (CID 119621404) is N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide is O=C(NCCNC1CCCCCC1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is HOPKHIAUMDUWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(21-14-13-20-16-8-4-1-2-5-9-16)18-12-15-23(22-18)17-10-6-3-7-11-17/h3,6-7,10-12,15-16,20H,1-2,4-5,8-9,13-14H2,(H,21,24).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide?
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 119621404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).