(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

C18H30N4O2 — CID 95348396

IUPAC(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(23)12-21-8-10-22(11-9-21)18(24)16-13-20(2)19-17(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyISCFCGLPZKARAU-CQSZACIVSA-N
MW334.46 g/mol
LogP1.61
Rot. Bonds4

About (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone

(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95348396) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95348396
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-14(23)12-21-8-10-22(11-9-21)18(24)16-13-20(2)19-17(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyISCFCGLPZKARAU-CQSZACIVSA-N
XLogP1.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95348396) is (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is C[C@@H](O)CN1CCN(C(=O)c2cn(C)nc2C2CCCCC2)CC1.
What is the InChIKey of (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is ISCFCGLPZKARAU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(23)12-21-8-10-22(11-9-21)18(24)16-13-20(2)19-17(16)15-6-4-3-5-7-15/h13-15,23H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone?
(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1-methylpyrazol-4-yl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95348396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).