N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide

C19H25N3O2 — CID 42686888

IUPACN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-3-16-18(20-19(23)13-8-5-4-6-9-13)17(22-21-16)14-10-7-11-15(12-14)24-2/h7,10-13H,3-6,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyINALLQTXRWPGQP-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.17
Rot. Bonds5

About N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 42686888) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID42686888
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCCC1
InChIInChI=1S/C19H25N3O2/c1-3-16-18(20-19(23)13-8-5-4-6-9-13)17(22-21-16)14-10-7-11-15(12-14)24-2/h7,10-13H,3-6,8-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyINALLQTXRWPGQP-UHFFFAOYSA-N
XLogP4.17
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686092
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
N-[3-(2,5-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42685811
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[5-bromo-6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
CID 10195021

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide (CID 42686888) is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide is CCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)C1CCCCC1.
What is the InChIKey of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is INALLQTXRWPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-16-18(20-19(23)13-8-5-4-6-9-13)17(22-21-16)14-10-7-11-15(12-14)24-2/h7,10-13H,3-6,8-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide?
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42686888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).