1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea

C10H18N4OS — CID 115583338

IUPAC1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCc1ccnn1C
InChIInChI=1S/C10H18N4OS/c1-8(7-15-3)13-10(16)11-6-9-4-5-12-14(9)2/h4-5,8H,6-7H2,1-3H3,(H2,11,13,16)
InChIKeyFOVPNGOJMILDOG-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.42
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea

1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea (PubChem CID 115583338) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
PubChem CID115583338
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCc1ccnn1C
InChIInChI=1S/C10H18N4OS/c1-8(7-15-3)13-10(16)11-6-9-4-5-12-14(9)2/h4-5,8H,6-7H2,1-3H3,(H2,11,13,16)
InChIKeyFOVPNGOJMILDOG-UHFFFAOYSA-N
XLogP0.42
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-3-(pyridin-4-ylmethyl)thiourea
CID 115570382
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326815
1-(1-methoxypropan-2-yl)-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]thiourea
CID 103882234
1-[(2S)-1-methoxypropan-2-yl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 129374903
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
1-[(2-methylpyrazol-3-yl)methyl]-3-phenylthiourea
CID 19326795
1-[(2-chlorophenyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 115570468
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326845
1-[2-(azetidin-3-yl)pyrazol-3-yl]-3-(1-methoxypropan-2-yl)thiourea
CID 165474040
N-[(2-methylpyrazol-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 47414086
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea (CID 115583338) is 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea is COCC(C)NC(=S)NCc1ccnn1C.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The InChIKey is FOVPNGOJMILDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(7-15-3)13-10(16)11-6-9-4-5-12-14(9)2/h4-5,8H,6-7H2,1-3H3,(H2,11,13,16).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea has a molecular weight of 242.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea is sourced from PubChem (CID 115583338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).