1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea

C16H17F3N4O — CID 71808652

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C1CC1
InChIInChI=1S/C16H17F3N4O/c1-23-14(10-2-3-10)8-13(22-23)9-20-15(24)21-12-6-4-11(5-7-12)16(17,18)19/h4-8,10H,2-3,9H2,1H3,(H2,20,21,24)
InChIKeyQAMWICLXGRIOMW-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.64
Rot. Bonds4

About 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 71808652) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID71808652
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCn1nc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C1CC1
InChIInChI=1S/C16H17F3N4O/c1-23-14(10-2-3-10)8-13(22-23)9-20-15(24)21-12-6-4-11(5-7-12)16(17,18)19/h4-8,10H,2-3,9H2,1H3,(H2,20,21,24)
InChIKeyQAMWICLXGRIOMW-UHFFFAOYSA-N
XLogP3.64
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 71808652) is 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is Cn1nc(CNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1C1CC1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is QAMWICLXGRIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-23-14(10-2-3-10)8-13(22-23)9-20-15(24)21-12-6-4-11(5-7-12)16(17,18)19/h4-8,10H,2-3,9H2,1H3,(H2,20,21,24).
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71808652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).