(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone

C11H17ClN4O — CID 82512005

IUPAC(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCNCC2)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-7(2)9-8(12)10(15-14-9)11(17)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyPQHNCTLOILSUGN-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.23
Rot. Bonds2

About (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone

(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone (PubChem CID 82512005) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
PubChem CID82512005
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCNCC2)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-7(2)9-8(12)10(15-14-9)11(17)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,14,15)
InChIKeyPQHNCTLOILSUGN-UHFFFAOYSA-N
XLogP1.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The IUPAC name of (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone (CID 82512005) is (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone is CC(C)c1[nH]nc(C(=O)N2CCNCC2)c1Cl.
What is the InChIKey of (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
The InChIKey is PQHNCTLOILSUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7(2)9-8(12)10(15-14-9)11(17)16-5-3-13-4-6-16/h7,13H,3-6H2,1-2H3,(H,14,15).
What are the key properties of (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone?
(4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone has a molecular weight of 256.74 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-propan-2-yl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82512005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).