2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

C14H17N3O — CID 45497318

IUPAC2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-6-4-10(5-7-11)12-8-9-15-17-12/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyOQXFJARXRKUQIK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds2

About 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide

2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (PubChem CID 45497318) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
PubChem CID45497318
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-6-4-10(5-7-11)12-8-9-15-17-12/h4-9H,1-3H3,(H,15,17)(H,16,18)
InChIKeyOQXFJARXRKUQIK-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide (CID 45497318) is 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
The InChIKey is OQXFJARXRKUQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)13(18)16-11-6-4-10(5-7-11)12-8-9-15-17-12/h4-9H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide?
2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 45497318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).