1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea

C11H20N4S — CID 19324952

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1cn(CC)nc1C
InChIInChI=1S/C11H20N4S/c1-4-6-12-11(16)13-7-10-8-15(5-2)14-9(10)3/h8H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyNNHYPCTXNXKVMM-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.59
Rot. Bonds5

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea (PubChem CID 19324952) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea
PubChem CID19324952
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1cn(CC)nc1C
InChIInChI=1S/C11H20N4S/c1-4-6-12-11(16)13-7-10-8-15(5-2)14-9(10)3/h8H,4-7H2,1-3H3,(H2,12,13,16)
InChIKeyNNHYPCTXNXKVMM-UHFFFAOYSA-N
XLogP1.59
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19573058
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571854
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-(4-methylphenyl)thiourea
CID 19324930
1-(2,4-dimethoxyphenyl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324954
1-[2-(difluoromethoxy)phenyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324966
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19324958
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
4-[(1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioamide
CID 19291744
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
1-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324975
1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19344289
1-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19343060

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea (CID 19324952) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea is CCCNC(=S)NCc1cn(CC)nc1C.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea?
The InChIKey is NNHYPCTXNXKVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-4-6-12-11(16)13-7-10-8-15(5-2)14-9(10)3/h8H,4-7H2,1-3H3,(H2,12,13,16).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea has a molecular weight of 240.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea is sourced from PubChem (CID 19324952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).