(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone

C15H26N4O2 — CID 16925488

IUPAC(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H26N4O2/c1-4-6-19-12-13(14(16-19)21-11-5-2)15(20)18-9-7-17(3)8-10-18/h12H,4-11H2,1-3H3
InChIKeyNFOWGNUVVPXPKV-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.47
Rot. Bonds6

About (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone

(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone (PubChem CID 16925488) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone
PubChem CID16925488
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C15H26N4O2/c1-4-6-19-12-13(14(16-19)21-11-5-2)15(20)18-9-7-17(3)8-10-18/h12H,4-11H2,1-3H3
InChIKeyNFOWGNUVVPXPKV-UHFFFAOYSA-N
XLogP1.47
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.47
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)-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone (CID 16925488) is (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone is CCCOc1nn(CCC)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone?
The InChIKey is NFOWGNUVVPXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-6-19-12-13(14(16-19)21-11-5-2)15(20)18-9-7-17(3)8-10-18/h12H,4-11H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone?
(4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-propoxy-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 16925488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).