(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

C22H28N4O2 — CID 9464011

IUPAC(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(25-12-10-24(11-13-25)16-19-7-4-14-28-19)21-15-20(17-8-9-17)23-26(21)18-5-2-1-3-6-18/h1-3,5-6,15,17,19H,4,7-14,16H2/t19-/m1/s1
InChIKeyRVKYEEBUGYTAST-LJQANCHMSA-N
MW380.49 g/mol
LogP2.69
Rot. Bonds5

About (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 9464011) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID9464011
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C22H28N4O2/c27-22(25-12-10-24(11-13-25)16-19-7-4-14-28-19)21-15-20(17-8-9-17)23-26(21)18-5-2-1-3-6-18/h1-3,5-6,15,17,19H,4,7-14,16H2/t19-/m1/s1
InChIKeyRVKYEEBUGYTAST-LJQANCHMSA-N
XLogP2.69
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55583502
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
[4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413204
[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 9209032
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9327914
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 31482999
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 8850204
(2-anilinopyrimidin-5-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 72886454
[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(3-cyclopropyl-1-phenylpyrazol-5-yl)methanone
CID 9363213
4-(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)piperazin-2-one
CID 31096480
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 55337903

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (CID 9464011) is (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is RVKYEEBUGYTAST-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(25-12-10-24(11-13-25)16-19-7-4-14-28-19)21-15-20(17-8-9-17)23-26(21)18-5-2-1-3-6-18/h1-3,5-6,15,17,19H,4,7-14,16H2/t19-/m1/s1.
What are the key properties of (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1-phenylpyrazol-5-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 9464011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).