2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

C14H17N3O — CID 47353024

IUPAC2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)14(18)16-13-6-4-12(5-7-13)10-17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyPJDCWXNRVUGQHV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds4

About 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide

2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 47353024) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID47353024
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Cn2cccn2)cc1
InChIInChI=1S/C14H17N3O/c1-11(2)14(18)16-13-6-4-12(5-7-13)10-17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyPJDCWXNRVUGQHV-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 104902970
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 51103750
N-[4-[[[ethylamino-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111851684
1-(1-hydroxy-4-methylpentan-2-yl)-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 111424876
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
N-(4-chlorophenyl)-2-[3-(pyrazol-1-ylmethyl)anilino]propanamide
CID 55629793
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
2-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 115353094

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 47353024) is 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is PJDCWXNRVUGQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11(2)14(18)16-13-6-4-12(5-7-13)10-17-9-3-8-15-17/h3-9,11H,10H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide?
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 243.31 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 47353024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).