methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

C19H31N3O3 — CID 158995532

IUPACmethyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@@H](C)CC2CC2)nn1C1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-14(12-15-5-6-15)18-13-17(4-3-9-20-19(23)24-2)22(21-18)16-7-10-25-11-8-16/h13-16H,3-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyJQRRKJHVRZGAOJ-AWEZNQCLSA-N
MW349.48 g/mol
LogP3.43
Rot. Bonds8

About methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate

methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (PubChem CID 158995532) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
PubChem CID158995532
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Namemethyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate
SMILESCOC(=O)NCCCc1cc([C@@H](C)CC2CC2)nn1C1CCOCC1
InChIInChI=1S/C19H31N3O3/c1-14(12-15-5-6-15)18-13-17(4-3-9-20-19(23)24-2)22(21-18)16-7-10-25-11-8-16/h13-16H,3-12H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyJQRRKJHVRZGAOJ-AWEZNQCLSA-N
XLogP3.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
CID 44589815
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
methyl N-[3-[3-[(1R)-1-(cyclopropylamino)ethyl]-4-fluoro-5-(oxan-4-yl)pyrazol-1-yl]propyl]carbamate
CID 118313498
methyl N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
CID 134331630
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)-2-methylpropanamide
CID 19540128
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-ethoxypropyl)propanamide
CID 19564055
methyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807717
N-{(2R*,4S*,6R*)-2-cyclohexyl-6-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]tetrahydro-2H-pyran-4-yl}acetamide
CID 50956091
1-(tert-Butoxycarbonyl)-4-(1,3-diethyl-(1H)-pyrazol-5-yl)piperidine
CID 23557496
Trans-[4-(3,5-Diethyl-pyrazol-1-ylmethyl)-cyclohexyl]-carbamic acid tert-butyl ester
CID 67363805
tert-butyl N-[[(1R,2R)-2-(2-methyl-4,5-dihydropyrazolo[1,5-a]pyridin-4-yl)cyclopropyl]methyl]carbamate
CID 68096682

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate (CID 158995532) is methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is COC(=O)NCCCc1cc([C@@H](C)CC2CC2)nn1C1CCOCC1.
What is the InChIKey of methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
The InChIKey is JQRRKJHVRZGAOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(12-15-5-6-15)18-13-17(4-3-9-20-19(23)24-2)22(21-18)16-7-10-25-11-8-16/h13-16H,3-12H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate?
methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate has a molecular weight of 349.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(2S)-1-cyclopropylpropan-2-yl]-1-(oxan-4-yl)pyrazol-5-yl]propyl]carbamate is sourced from PubChem (CID 158995532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).