1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea

C18H16FN5OS — CID 8943196

IUPAC1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea
SMILESO=C(NNC(=S)NCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16FN5OS/c19-15-8-6-13(7-9-15)10-20-18(26)23-22-17(25)14-11-21-24(12-14)16-4-2-1-3-5-16/h1-9,11-12H,10H2,(H,22,25)(H2,20,23,26)
InChIKeyCZKBXEOOPWNQOS-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.32
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea

1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea (PubChem CID 8943196) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea
PubChem CID8943196
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea
SMILESO=C(NNC(=S)NCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H16FN5OS/c19-15-8-6-13(7-9-15)10-20-18(26)23-22-17(25)14-11-21-24(12-14)16-4-2-1-3-5-16/h1-9,11-12H,10H2,(H,22,25)(H2,20,23,26)
InChIKeyCZKBXEOOPWNQOS-UHFFFAOYSA-N
XLogP2.32
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
N-[(benzylcarbamothioylamino)carbamothioyl]-4-fluorobenzamide
CID 142756981
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
N-(3-amino-3-sulfanylidenepropyl)-1-phenylpyrazole-4-carboxamide
CID 55101990
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
1-[(4-fluorophenyl)methyl]-3-[[3-(methoxymethyl)benzoyl]amino]thiourea
CID 8942802
N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
N'-[2-(4-ethylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9324440
N'-[2-(2-methylphenoxy)acetyl]-1-phenylpyrazole-4-carbohydrazide
CID 9321094
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea (CID 8943196) is 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea is O=C(NNC(=S)NCc1ccc(F)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea?
The InChIKey is CZKBXEOOPWNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c19-15-8-6-13(7-9-15)10-20-18(26)23-22-17(25)14-11-21-24(12-14)16-4-2-1-3-5-16/h1-9,11-12H,10H2,(H,22,25)(H2,20,23,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea?
1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea has a molecular weight of 369.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[(1-phenylpyrazole-4-carbonyl)amino]thiourea is sourced from PubChem (CID 8943196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).