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

C17H23N3O2 — CID 42686897

IUPACN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)CC(C)C
InChIInChI=1S/C17H23N3O2/c1-5-14-17(18-15(21)9-11(2)3)16(20-19-14)12-7-6-8-13(10-12)22-4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQRMWFUPRHXBIOP-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.63
Rot. Bonds6

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

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide (PubChem CID 42686897) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
PubChem CID42686897
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
SMILESCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)CC(C)C
InChIInChI=1S/C17H23N3O2/c1-5-14-17(18-15(21)9-11(2)3)16(20-19-14)12-7-6-8-13(10-12)22-4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyQRMWFUPRHXBIOP-UHFFFAOYSA-N
XLogP3.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
1-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687479
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
2-(3-methoxyphenyl)-N-[3-(2-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 83280532
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[4-[5-(3-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]phenyl]-3-methylbutanamide
CID 42809971

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide?
The IUPAC name of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide (CID 42686897) is N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide is CCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)CC(C)C.
What is the InChIKey of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide?
The InChIKey is QRMWFUPRHXBIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-14-17(18-15(21)9-11(2)3)16(20-19-14)12-7-6-8-13(10-12)22-4/h6-8,10-11H,5,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide?
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 3.63, 6 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]-3-methylbutanamide is sourced from PubChem (CID 42686897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).