1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

C11H15N5O — CID 103007545

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H15N5O/c1-15-8(5-6-13-15)3-4-10(17)9-7-14-16(2)11(9)12/h5-7H,3-4,12H2,1-2H3
InChIKeyOTCZYBQTAICGCM-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.55
Rot. Bonds4

About 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one

1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 103007545) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID103007545
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)c1cnn(C)c1N
InChIInChI=1S/C11H15N5O/c1-15-8(5-6-13-15)3-4-10(17)9-7-14-16(2)11(9)12/h5-7H,3-4,12H2,1-2H3
InChIKeyOTCZYBQTAICGCM-UHFFFAOYSA-N
XLogP0.55
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-aminonaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023608
1-(1-methylpyrazol-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007529
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875
3-(2-methylpyrazol-3-yl)-1-pyridin-3-ylpropan-1-one
CID 103007247
1-(3-amino-5-bromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103023983
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007703
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024345
1-(5-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007478
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024409
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one (CID 103007545) is 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is OTCZYBQTAICGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-15-8(5-6-13-15)3-4-10(17)9-7-14-16(2)11(9)12/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 233.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 103007545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).