3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide

C15H19N3O2 — CID 72877008

IUPAC3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide
SMILESCC(C)Oc1cccc(-c2cnn(CCC(N)=O)c2)c1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-14-5-3-4-12(8-14)13-9-17-18(10-13)7-6-15(16)19/h3-5,8-11H,6-7H2,1-2H3,(H2,16,19)
InChIKeyKOGNYXCMWYBIJO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.21
Rot. Bonds6

About 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide

3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide (PubChem CID 72877008) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide
PubChem CID72877008
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide
SMILESCC(C)Oc1cccc(-c2cnn(CCC(N)=O)c2)c1
InChIInChI=1S/C15H19N3O2/c1-11(2)20-14-5-3-4-12(8-14)13-9-17-18(10-13)7-6-15(16)19/h3-5,8-11H,6-7H2,1-2H3,(H2,16,19)
InChIKeyKOGNYXCMWYBIJO-UHFFFAOYSA-N
XLogP2.21
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide (CID 72877008) is 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide is CC(C)Oc1cccc(-c2cnn(CCC(N)=O)c2)c1.
What is the InChIKey of 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide?
The InChIKey is KOGNYXCMWYBIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(2)20-14-5-3-4-12(8-14)13-9-17-18(10-13)7-6-15(16)19/h3-5,8-11H,6-7H2,1-2H3,(H2,16,19).
What are the key properties of 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide?
3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-propan-2-yloxyphenyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 72877008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).