(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

C12H16BrN3O — CID 47426561

IUPAC(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCCCC1
InChIInChI=1S/C12H16BrN3O/c13-9-10(8-4-5-8)14-15-11(9)12(17)16-6-2-1-3-7-16/h8H,1-7H2,(H,14,15)
InChIKeyFYJLAVWHGACOMT-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.68
Rot. Bonds2

About (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 47426561) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID47426561
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Br)N1CCCCC1
InChIInChI=1S/C12H16BrN3O/c13-9-10(8-4-5-8)14-15-11(9)12(17)16-6-2-1-3-7-16/h8H,1-7H2,(H,14,15)
InChIKeyFYJLAVWHGACOMT-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropyl-1H-pyrazole-5-carbonyl)piperidine
CID 40008644
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445
4-bromo-5-cyclopropyl-N-propyl-1H-pyrazole-3-carboxamide
CID 47080056
4-bromo-5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 47426507
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 53565796
(4-bromo-5-methyl-1H-pyrazol-3-yl)-(4-methylazepan-1-yl)methanone
CID 56821937
4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one
CID 71855470
4-chloro-5-cyclopropyl-N-(1-cyclopropylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 71921540
4-bromo-5-cyclopropyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 72151972
(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 97055365
1-cyclohexyl-4-(3-cyclopropyl-1H-pyrazole-5-carbonyl)piperazine
CID 20906519

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (CID 47426561) is (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is O=C(c1n[nH]c(C2CC2)c1Br)N1CCCCC1.
What is the InChIKey of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is FYJLAVWHGACOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-9-10(8-4-5-8)14-15-11(9)12(17)16-6-2-1-3-7-16/h8H,1-7H2,(H,14,15).
What are the key properties of (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 298.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 47426561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).