(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone

C18H22N4O — CID 157019570

IUPAC(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H22N4O/c1-13-12-21(16-6-7-16)10-11-22(13)18(23)15-4-2-14(3-5-15)17-8-9-19-20-17/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,19,20)
InChIKeyYKXSAOSCBLIGPO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.39
Rot. Bonds3

About (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone

(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 157019570) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID157019570
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCC1CN(C2CC2)CCN1C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C18H22N4O/c1-13-12-21(16-6-7-16)10-11-22(13)18(23)15-4-2-14(3-5-15)17-8-9-19-20-17/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,19,20)
InChIKeyYKXSAOSCBLIGPO-UHFFFAOYSA-N
XLogP2.39
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 157019570) is (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is CC1CN(C2CC2)CCN1C(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is YKXSAOSCBLIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-12-21(16-6-7-16)10-11-22(13)18(23)15-4-2-14(3-5-15)17-8-9-19-20-17/h2-5,8-9,13,16H,6-7,10-12H2,1H3,(H,19,20).
What are the key properties of (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone?
(4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-methylpiperazin-1-yl)-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 157019570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).