N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide

C16H19N3O3 — CID 42685652

IUPACN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(C)=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-9(20)17-16-14(10-4-5-10)18-19-15(16)11-6-7-12(21-2)13(8-11)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNTLGENLYFJIAFP-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.93
Rot. Bonds5

About N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide

N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide (PubChem CID 42685652) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
PubChem CID42685652
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(C)=O)cc1OC
InChIInChI=1S/C16H19N3O3/c1-9(20)17-16-14(10-4-5-10)18-19-15(16)11-6-7-12(21-2)13(8-11)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyNTLGENLYFJIAFP-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide (CID 42685652) is N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide is COc1ccc(-c2n[nH]c(C3CC3)c2NC(C)=O)cc1OC.
What is the InChIKey of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide?
The InChIKey is NTLGENLYFJIAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(20)17-16-14(10-4-5-10)18-19-15(16)11-6-7-12(21-2)13(8-11)22-3/h6-8,10H,4-5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide?
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42685652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).