N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide

C16H19N3O3 — CID 42685759

IUPACN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C2CC2)c1
InChIInChI=1S/C16H19N3O3/c1-9-14(17-16(20)10-4-5-10)15(19-18-9)12-8-11(21-2)6-7-13(12)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWEJRTTSUPRECLP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.75
Rot. Bonds5

About N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 42685759) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID42685759
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCOc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C2CC2)c1
InChIInChI=1S/C16H19N3O3/c1-9-14(17-16(20)10-4-5-10)15(19-18-9)12-8-11(21-2)6-7-13(12)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyWEJRTTSUPRECLP-UHFFFAOYSA-N
XLogP2.75
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42685604
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686893
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686906
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]propanamide
CID 42686882
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685612
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42685652
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42685753
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685758
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42685782
N-[3-(1,3-benzodioxol-5-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42685952

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide (CID 42685759) is N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide is COc1ccc(OC)c(-c2n[nH]c(C)c2NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is WEJRTTSUPRECLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9-14(17-16(20)10-4-5-10)15(19-18-9)12-8-11(21-2)6-7-13(12)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42685759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).