1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea

C10H19N5S — CID 19401597

IUPAC1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea
SMILESCN(C)CCCNC(=S)Nc1ccn(C)n1
InChIInChI=1S/C10H19N5S/c1-14(2)7-4-6-11-10(16)12-9-5-8-15(3)13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13,16)
InChIKeyLJTDFUNPJDAJLF-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.66
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea

1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea (PubChem CID 19401597) has the molecular formula C10H19N5S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea
PubChem CID19401597
Molecular FormulaC10H19N5S
Molecular Weight241.36 g/mol
Exact Mass241.14
IUPAC Name1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea
SMILESCN(C)CCCNC(=S)Nc1ccn(C)n1
InChIInChI=1S/C10H19N5S/c1-14(2)7-4-6-11-10(16)12-9-5-8-15(3)13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13,16)
InChIKeyLJTDFUNPJDAJLF-UHFFFAOYSA-N
XLogP0.66
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(N-methylanilino)propyl]-3-(1-methylpyrazol-3-yl)urea
CID 60616962
1-methyl-3-(1-methylpyrazol-3-yl)thiourea
CID 19401616
1-[3-(dimethylamino)propyl]-3-[(1,3-dimethylpyrazol-4-yl)methyl]thiourea
CID 19324881
1-[3-(diethylamino)propyl]-3-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19396978
1-(1-benzylpyrazol-4-yl)-3-(1-methylpyrazol-3-yl)thiourea
CID 19401642
1-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-3-yl)thiourea
CID 19401636
1-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[3-(dimethylamino)propyl]thiourea
CID 4776183
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19327050
1-(3-bromophenyl)-3-[3-(dimethylamino)propyl]thiourea
CID 92524449
1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)thiourea;molecular hydrogen
CID 153376996
2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 23443606
1-[3-(4-bromopyrazol-1-yl)propyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19334251

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea (CID 19401597) is 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea is CN(C)CCCNC(=S)Nc1ccn(C)n1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea?
The InChIKey is LJTDFUNPJDAJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5S/c1-14(2)7-4-6-11-10(16)12-9-5-8-15(3)13-9/h5,8H,4,6-7H2,1-3H3,(H2,11,12,13,16).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea?
1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea has a molecular weight of 241.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(1-methylpyrazol-3-yl)thiourea is sourced from PubChem (CID 19401597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).