N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide

C19H25N3O2 — CID 42686759

IUPACN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-12(2)11-16-18(20-19(23)14-5-4-6-14)17(22-21-16)13-7-9-15(24-3)10-8-13/h7-10,12,14H,4-6,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyUNCVPPTXEUQZEG-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.02
Rot. Bonds6

About N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide

N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide (PubChem CID 42686759) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
PubChem CID42686759
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H25N3O2/c1-12(2)11-16-18(20-19(23)14-5-4-6-14)17(22-21-16)13-7-9-15(24-3)10-8-13/h7-10,12,14H,4-6,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyUNCVPPTXEUQZEG-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
N-[3-(2,5-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42685811
2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 42685731
N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42874244
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-2-methoxyacetamide
CID 42685728
N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42685722
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685663
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686092
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide (CID 42686759) is N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide is COc1ccc(-c2n[nH]c(CC(C)C)c2NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The InChIKey is UNCVPPTXEUQZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)11-16-18(20-19(23)14-5-4-6-14)17(22-21-16)13-7-9-15(24-3)10-8-13/h7-10,12,14H,4-6,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide?
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide has a molecular weight of 327.43 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42686759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).