(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide

C17H28N4O2 — CID 129400309

IUPAC(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)[C@@H]2COCCN2C2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-11-13(10-18-21)19-16(22)15-12-23-9-8-20(15)14-6-4-5-7-14/h10-11,14-15H,4-9,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLMUOGCBBTWUKEI-HNNXBMFYSA-N
MW320.44 g/mol
LogP2.22
Rot. Bonds3

About (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide

(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide (PubChem CID 129400309) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
PubChem CID129400309
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)[C@@H]2COCCN2C2CCCC2)cn1
InChIInChI=1S/C17H28N4O2/c1-17(2,3)21-11-13(10-18-21)19-16(22)15-12-23-9-8-20(15)14-6-4-5-7-14/h10-11,14-15H,4-9,12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLMUOGCBBTWUKEI-HNNXBMFYSA-N
XLogP2.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
(3S)-4-cyclopentyl-N-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]morpholine-3-carboxamide
CID 124621109
N-(1-tert-butylpyrazol-4-yl)-5-oxaspiro[2.4]heptane-2-carboxamide
CID 127874853
(3R)-N-(1-tert-butylpyrazol-4-yl)-3-morpholin-4-ylsulfonylpiperidine-1-carboxamide
CID 97344342
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
1-(1-tert-butylpyrazol-4-yl)-3-[(1S)-1-[(3R)-oxolan-3-yl]prop-2-ynyl]urea
CID 100697344
4-cyclopentyl-N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 136567627
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
1-tert-butyl-N-cyclohexylpyrazol-4-amine
CID 115777696
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide?
The IUPAC name of (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide (CID 129400309) is (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide is CC(C)(C)n1cc(NC(=O)[C@@H]2COCCN2C2CCCC2)cn1.
What is the InChIKey of (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide?
The InChIKey is LMUOGCBBTWUKEI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,3)21-11-13(10-18-21)19-16(22)15-12-23-9-8-20(15)14-6-4-5-7-14/h10-11,14-15H,4-9,12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide?
(3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-tert-butylpyrazol-4-yl)-4-cyclopentylmorpholine-3-carboxamide is sourced from PubChem (CID 129400309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).