(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone

C14H19ClN4O — CID 97055365

IUPAC(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19ClN4O/c15-11-12(9-1-2-9)16-17-13(11)14(20)19-7-5-18(6-8-19)10-3-4-10/h9-10H,1-8H2,(H,16,17)
InChIKeyPUVJTGSNWNGZDF-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.86
Rot. Bonds3

About (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone

(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 97055365) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID97055365
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19ClN4O/c15-11-12(9-1-2-9)16-17-13(11)14(20)19-7-5-18(6-8-19)10-3-4-10/h9-10H,1-8H2,(H,16,17)
InChIKeyPUVJTGSNWNGZDF-UHFFFAOYSA-N
XLogP1.86
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 97055365) is (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone is O=C(c1n[nH]c(C2CC2)c1Cl)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is PUVJTGSNWNGZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c15-11-12(9-1-2-9)16-17-13(11)14(20)19-7-5-18(6-8-19)10-3-4-10/h9-10H,1-8H2,(H,16,17).
What are the key properties of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone?
(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 294.79 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 97055365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).