[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone

C20H25N3O2 — CID 129358344

IUPAC[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2c2ccccc2)nn1[C@H](C)C1CC1
InChIInChI=1S/C20H25N3O2/c1-14-12-18(21-23(14)15(2)16-8-9-16)20(24)22-10-11-25-13-19(22)17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3/t15-,19-/m1/s1
InChIKeyHKEVHABWVGXNFQ-DNVCBOLYSA-N
MW339.44 g/mol
LogP3.38
Rot. Bonds4

About [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone

[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone (PubChem CID 129358344) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
PubChem CID129358344
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@@H]2c2ccccc2)nn1[C@H](C)C1CC1
InChIInChI=1S/C20H25N3O2/c1-14-12-18(21-23(14)15(2)16-8-9-16)20(24)22-10-11-25-13-19(22)17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3/t15-,19-/m1/s1
InChIKeyHKEVHABWVGXNFQ-DNVCBOLYSA-N
XLogP3.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 129358698
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
CID 136555336
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
2-[2-[4-(3-phenylmorpholine-4-carbonyl)-1,3-thiazol-2-yl]phenyl]propanal
CID 174558777
[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-phenylmorpholin-4-yl)methanone
CID 71866643
(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343134
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(3-phenylmorpholin-4-yl)methanone
CID 146229731
(3-phenylmorpholin-4-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 167986271
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 75474989
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230

Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone?
The IUPAC name of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone (CID 129358344) is [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone?
The canonical SMILES for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@@H]2c2ccccc2)nn1[C@H](C)C1CC1.
What is the InChIKey of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone?
The InChIKey is HKEVHABWVGXNFQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-12-18(21-23(14)15(2)16-8-9-16)20(24)22-10-11-25-13-19(22)17-6-4-3-5-7-17/h3-7,12,15-16,19H,8-11,13H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone?
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 129358344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).