N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

C18H23N3O2 — CID 78835476

IUPACN-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-15-10-8-13(9-11-15)17-16(12-19-21-17)18(22)20-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyMGWZQKWUJWBIIH-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.54
Rot. Bonds4

About N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 78835476) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID78835476
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H23N3O2/c1-23-15-10-8-13(9-11-15)17-16(12-19-21-17)18(22)20-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,19,21)(H,20,22)
InChIKeyMGWZQKWUJWBIIH-UHFFFAOYSA-N
XLogP3.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 71824281
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119489278
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
N-[(1-hydroxycyclohexyl)methyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 111485817
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71994559
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 78835476) is N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MGWZQKWUJWBIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-15-10-8-13(9-11-15)17-16(12-19-21-17)18(22)20-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78835476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).