(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide

C19H32N4O2 — CID 124621080

IUPAC(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1
InChIInChI=1S/C19H32N4O2/c1-13(11-17-14(2)21-22(4)15(17)3)20-19(24)18-12-25-10-9-23(18)16-7-5-6-8-16/h13,16,18H,5-12H2,1-4H3,(H,20,24)/t13-,18-/m0/s1
InChIKeyUWRFOGWHKXOAFW-UGSOOPFHSA-N
MW348.49 g/mol
LogP1.73
Rot. Bonds5

About (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide

(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide (PubChem CID 124621080) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide
PubChem CID124621080
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide
SMILESCc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1
InChIInChI=1S/C19H32N4O2/c1-13(11-17-14(2)21-22(4)15(17)3)20-19(24)18-12-25-10-9-23(18)16-7-5-6-8-16/h13,16,18H,5-12H2,1-4H3,(H,20,24)/t13-,18-/m0/s1
InChIKeyUWRFOGWHKXOAFW-UGSOOPFHSA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-cyclopentyl-N-[(2R)-1-(3,4-dihydroxyphenyl)propan-2-yl]morpholine-3-carboxamide
CID 124626571
2-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122146158
(2R)-2-(hydroxymethyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 95967699
(2S)-2-(hydroxymethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrrolidine-1-carboxamide
CID 111508000
1-[(1R)-1-cyclohexylethyl]-1-methyl-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 100745244
(3S)-3-(1,2,4-triazol-1-yl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-1-carboxamide
CID 124608677
1-cyclopropyl-1-[(2S)-3-methylbutan-2-yl]-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97048821
6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
CID 46974849
1-(5-chloro-2-pyridinyl)-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]piperidine-4-carboxamide
CID 99817294
4-cyclopentyl-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 136567627
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]acetamide;hydroiodide
CID 110044292
3-amino-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]butanamide;hydrochloride
CID 120501674

Frequently Asked Questions

What is the IUPAC name of (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The IUPAC name of (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide (CID 124621080) is (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide is Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1.
What is the InChIKey of (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
The InChIKey is UWRFOGWHKXOAFW-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-13(11-17-14(2)21-22(4)15(17)3)20-19(24)18-12-25-10-9-23(18)16-7-5-6-8-16/h13,16,18H,5-12H2,1-4H3,(H,20,24)/t13-,18-/m0/s1.
What are the key properties of (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide?
(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide is sourced from PubChem (CID 124621080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).