1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea

C15H22ClF3N4O — CID 17020521

IUPAC1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H22ClF3N4O/c1-10-12(16)13(15(17,18)19)22-23(10)9-5-8-20-14(24)21-11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H2,20,21,24)
InChIKeyBSZNJVPXDIGMPP-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.89
Rot. Bonds5

About 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea

1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea (PubChem CID 17020521) has the molecular formula C15H22ClF3N4O and a molecular weight of 366.82 g/mol. Its IUPAC name is 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
PubChem CID17020521
Molecular FormulaC15H22ClF3N4O
Molecular Weight366.82 g/mol
Exact Mass366.14
IUPAC Name1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea
SMILESCc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)NC1CCCCC1
InChIInChI=1S/C15H22ClF3N4O/c1-10-12(16)13(15(17,18)19)22-23(10)9-5-8-20-14(24)21-11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H2,20,21,24)
InChIKeyBSZNJVPXDIGMPP-UHFFFAOYSA-N
XLogP3.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
4-chloro-N-cyclohexyl-3,5-dimethyl-1H-pyrazole-1-carboxamide
CID 3686322
(2S)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51390380
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-cyclopentylpropanamide
CID 4770957
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(propan-2-yl)propanamide
CID 4772551
1-cyclohexyl-3-{2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}urea
CID 17026395
1-cyclohexyl-3-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}urea
CID 17026411
3-[[4-Chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,1-dimethylurea
CID 59833731
1-[[4-Chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea
CID 59833732
[4-Chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methylurea
CID 59833741
3-[[4-Chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1,1-dimethylurea
CID 59833754

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea (CID 17020521) is 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea is Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
The InChIKey is BSZNJVPXDIGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O/c1-10-12(16)13(15(17,18)19)22-23(10)9-5-8-20-14(24)21-11-6-3-2-4-7-11/h11H,2-9H2,1H3,(H2,20,21,24).
What are the key properties of 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea?
1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea has a molecular weight of 366.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-cyclohexylurea is sourced from PubChem (CID 17020521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).