1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea

C18H20N4S — CID 19572908

IUPAC1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea
SMILESCc1ccnn1CCCNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N4S/c1-14-10-12-20-22(14)13-5-11-19-18(23)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-10,12H,5,11,13H2,1H3,(H2,19,21,23)
InChIKeyOMKRSWQWBHQURO-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.72
Rot. Bonds5

About 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea

1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea (PubChem CID 19572908) has the molecular formula C18H20N4S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea.

Molecular Properties

Compound Name1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea
PubChem CID19572908
Molecular FormulaC18H20N4S
Molecular Weight324.45 g/mol
Exact Mass324.14
IUPAC Name1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea
SMILESCc1ccnn1CCCNC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C18H20N4S/c1-14-10-12-20-22(14)13-5-11-19-18(23)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-10,12H,5,11,13H2,1H3,(H2,19,21,23)
InChIKeyOMKRSWQWBHQURO-UHFFFAOYSA-N
XLogP3.72
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-methylphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)propyl]thiourea
CID 2207063
1-(furan-2-ylmethyl)-3-[3-(5-methylpyrazol-1-yl)propyl]thiourea
CID 4768423
1-(6-methylhept-5-enyl)-3-naphthalen-1-ylthiourea
CID 71392566
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
N-butyl-2-(naphthalen-1-ylcarbamothioylamino)acetamide
CID 173169464
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-naphthalen-1-ylurea
CID 17264652
1-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
CID 19650053
1-[(2-ethylpyrazol-3-yl)methyl]-1-methyl-3-naphthalen-1-ylthiourea
CID 19464733
tert-butyl N-[2-(naphthalen-1-ylcarbamothioylamino)ethyl]carbamate
CID 84551382
1-(3-ethoxypropyl)-3-isoquinolin-5-ylthiourea
CID 51558605
1-(5-hydroxynaphthalen-1-yl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8617118

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea?
The IUPAC name of 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea (CID 19572908) is 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea.
What is the SMILES notation for 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea?
The canonical SMILES for 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea is Cc1ccnn1CCCNC(=S)Nc1cccc2ccccc12.
What is the InChIKey of 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea?
The InChIKey is OMKRSWQWBHQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4S/c1-14-10-12-20-22(14)13-5-11-19-18(23)21-17-9-4-7-15-6-2-3-8-16(15)17/h2-4,6-10,12H,5,11,13H2,1H3,(H2,19,21,23).
What are the key properties of 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea?
1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea has a molecular weight of 324.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylpyrazol-1-yl)propyl]-3-naphthalen-1-ylthiourea is sourced from PubChem (CID 19572908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).