(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

C14H17N5O — CID 3758761

IUPAC(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1
InChIInChI=1S/C14H17N5O/c1-17-7-9-18(10-8-17)14(20)12-3-4-13(15-11-12)19-6-2-5-16-19/h2-6,11H,7-10H2,1H3
InChIKeyCOHARPYUDZYUID-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.65
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone

(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 3758761) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID3758761
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1
InChIInChI=1S/C14H17N5O/c1-17-7-9-18(10-8-17)14(20)12-3-4-13(15-11-12)19-6-2-5-16-19/h2-6,11H,7-10H2,1H3
InChIKeyCOHARPYUDZYUID-UHFFFAOYSA-N
XLogP0.65
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 3758761) is (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is CN1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is COHARPYUDZYUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-17-7-9-18(10-8-17)14(20)12-3-4-13(15-11-12)19-6-2-5-16-19/h2-6,11H,7-10H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone?
(4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 271.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 3758761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).