4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one

C14H17ClN4O2 — CID 71855470

IUPAC4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C14H17ClN4O2/c15-11-12(8-1-2-8)16-17-13(11)14(21)18-5-6-19(9-3-4-9)10(20)7-18/h8-9H,1-7H2,(H,16,17)
InChIKeyDNCCTRXJSACUPI-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.39
Rot. Bonds3

About 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one

4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one (PubChem CID 71855470) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one
PubChem CID71855470
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C14H17ClN4O2/c15-11-12(8-1-2-8)16-17-13(11)14(21)18-5-6-19(9-3-4-9)10(20)7-18/h8-9H,1-7H2,(H,16,17)
InChIKeyDNCCTRXJSACUPI-UHFFFAOYSA-N
XLogP1.39
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one (CID 71855470) is 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one is O=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one?
The InChIKey is DNCCTRXJSACUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-11-12(8-1-2-8)16-17-13(11)14(21)18-5-6-19(9-3-4-9)10(20)7-18/h8-9H,1-7H2,(H,16,17).
What are the key properties of 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one?
4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one has a molecular weight of 308.77 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 71855470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).