4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide

C14H18N4O — CID 110479939

IUPAC4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
SMILESCn1cc(-c2cccc(NC(=O)CCCN)c2)cn1
InChIInChI=1S/C14H18N4O/c1-18-10-12(9-16-18)11-4-2-5-13(8-11)17-14(19)6-3-7-15/h2,4-5,8-10H,3,6-7,15H2,1H3,(H,17,19)
InChIKeyLOROFJPBPBJXFI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds5

About 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide

4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide (PubChem CID 110479939) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
PubChem CID110479939
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
SMILESCn1cc(-c2cccc(NC(=O)CCCN)c2)cn1
InChIInChI=1S/C14H18N4O/c1-18-10-12(9-16-18)11-4-2-5-13(8-11)17-14(19)6-3-7-15/h2,4-5,8-10H,3,6-7,15H2,1H3,(H,17,19)
InChIKeyLOROFJPBPBJXFI-UHFFFAOYSA-N
XLogP1.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide (CID 110479939) is 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide is Cn1cc(-c2cccc(NC(=O)CCCN)c2)cn1.
What is the InChIKey of 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide?
The InChIKey is LOROFJPBPBJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-10-12(9-16-18)11-4-2-5-13(8-11)17-14(19)6-3-7-15/h2,4-5,8-10H,3,6-7,15H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide?
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 110479939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).