1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea

C11H19N5OS — CID 165474040

IUPAC1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)Nc1ccnn1C1CNC1
InChIInChI=1S/C11H19N5OS/c1-8(7-17-2)14-11(18)15-10-3-4-13-16(10)9-5-12-6-9/h3-4,8-9,12H,5-7H2,1-2H3,(H2,14,15,18)
InChIKeyDAQPWCMUHLZACG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.35
Rot. Bonds5

About 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea

1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea (PubChem CID 165474040) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea.

Molecular Properties

Compound Name1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
PubChem CID165474040
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
SMILESCOCC(C)NC(=S)Nc1ccnn1C1CNC1
InChIInChI=1S/C11H19N5OS/c1-8(7-17-2)14-11(18)15-10-3-4-13-16(10)9-5-12-6-9/h3-4,8-9,12H,5-7H2,1-2H3,(H2,14,15,18)
InChIKeyDAQPWCMUHLZACG-UHFFFAOYSA-N
XLogP0.35
TPSA63.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-carbamothioylbutanamide
CID 165474032
1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 115583338
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]hexanamide
CID 165484923
N-(2-aminoethyl)-N'-[2-(azetidin-3-yl)pyrazol-3-yl]oxamide
CID 165474686
1-N-[2-(azetidin-3-yl)pyrazol-3-yl]-2-N-cyclopropylpropane-1,2-diamine
CID 165483213
N-[2-(azetidin-3-yl)pyrazol-3-yl]-1-(methylamino)cyclopropane-1-carboxamide
CID 165483514
N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 45250863
(2S)-2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]-3-cyclopropylpropanamide
CID 165484852
2-(azetidin-3-ylidene)-N-[2-(azetidin-3-yl)pyrazol-3-yl]propanamide
CID 165484838
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 113226468
1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
2-amino-N-[2-(azetidin-3-yl)pyrazol-3-yl]pent-4-enamide
CID 165474812

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea?
The IUPAC name of 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea (CID 165474040) is 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea.
What is the SMILES notation for 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea?
The canonical SMILES for 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea is COCC(C)NC(=S)Nc1ccnn1C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea?
The InChIKey is DAQPWCMUHLZACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8(7-17-2)14-11(18)15-10-3-4-13-16(10)9-5-12-6-9/h3-4,8-9,12H,5-7H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea?
1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea has a molecular weight of 269.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea is sourced from PubChem (CID 165474040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).