(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone

C10H13BrN2O — CID 114639277

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1CC1
InChIInChI=1S/C10H13BrN2O/c1-6(2)13-9(8(11)5-12-13)10(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyRNYPBXRITRFCPM-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.82
Rot. Bonds3

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone (PubChem CID 114639277) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
PubChem CID114639277
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1CC1
InChIInChI=1S/C10H13BrN2O/c1-6(2)13-9(8(11)5-12-13)10(14)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyRNYPBXRITRFCPM-UHFFFAOYSA-N
XLogP2.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
CID 114669872
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114642283
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
CID 107187514
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methanone
CID 115805405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dithian-2-yl)methanone
CID 114641542
3-amino-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-cyclopropylpropan-1-one
CID 114671070
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 114640744
cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-chloro-2,2-difluoroethanone
CID 114642269
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoropropan-1-one
CID 130648385

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone (CID 114639277) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone is CC(C)n1ncc(Br)c1C(=O)C1CC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone?
The InChIKey is RNYPBXRITRFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-6(2)13-9(8(11)5-12-13)10(14)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone has a molecular weight of 257.13 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone is sourced from PubChem (CID 114639277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).