1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one

C14H17N3O — CID 103023503

IUPAC1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
SMILESCn1nccc1CCC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-17-12(9-10-16-17)7-8-13(18)14(15)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8,15H2,1H3
InChIKeyYUZJMSRPVPPWTL-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.62
Rot. Bonds5

About 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one

1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one (PubChem CID 103023503) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one.

Molecular Properties

Compound Name1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
PubChem CID103023503
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
SMILESCn1nccc1CCC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H17N3O/c1-17-12(9-10-16-17)7-8-13(18)14(15)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8,15H2,1H3
InChIKeyYUZJMSRPVPPWTL-UHFFFAOYSA-N
XLogP1.62
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
1-cyclopropyl-1-ethoxy-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103007918
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023608
1-amino-1-phenylheptan-2-one
CID 116551276

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one?
The IUPAC name of 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one (CID 103023503) is 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one.
What is the SMILES notation for 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one?
The canonical SMILES for 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one is Cn1nccc1CCC(=O)C(N)c1ccccc1.
What is the InChIKey of 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one?
The InChIKey is YUZJMSRPVPPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-12(9-10-16-17)7-8-13(18)14(15)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8,15H2,1H3.
What are the key properties of 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one?
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one is sourced from PubChem (CID 103023503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).