[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone

C16H25N5O2 — CID 91629056

IUPAC[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-18-15(12-14(17-18)13-2-3-13)19-4-6-20(7-5-19)16(22)21-8-10-23-11-9-21/h12-13H,2-11H2,1H3
InChIKeyCXTXMGIQOFWBQS-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.87
Rot. Bonds2

About [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone

[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 91629056) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID91629056
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCn1nc(C2CC2)cc1N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-18-15(12-14(17-18)13-2-3-13)19-4-6-20(7-5-19)16(22)21-8-10-23-11-9-21/h12-13H,2-11H2,1H3
InChIKeyCXTXMGIQOFWBQS-UHFFFAOYSA-N
XLogP0.87
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 91629056) is [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone is Cn1nc(C2CC2)cc1N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CXTXMGIQOFWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-18-15(12-14(17-18)13-2-3-13)19-4-6-20(7-5-19)16(22)21-8-10-23-11-9-21/h12-13H,2-11H2,1H3.
What are the key properties of [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone?
[4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1-methylpyrazol-5-yl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91629056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).