1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

C17H20F2N4O — CID 126769338

IUPAC1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)cnn1C
InChIInChI=1S/C17H20F2N4O/c1-11-13(9-21-22(11)2)8-20-17(24)23(15-5-6-15)10-12-3-4-14(18)7-16(12)19/h3-4,7,9,15H,5-6,8,10H2,1-2H3,(H,20,24)
InChIKeyRSWJSGKUGPPJTN-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.88
Rot. Bonds5

About 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea

1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 126769338) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID126769338
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1c(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)cnn1C
InChIInChI=1S/C17H20F2N4O/c1-11-13(9-21-22(11)2)8-20-17(24)23(15-5-6-15)10-12-3-4-14(18)7-16(12)19/h3-4,7,9,15H,5-6,8,10H2,1-2H3,(H,20,24)
InChIKeyRSWJSGKUGPPJTN-UHFFFAOYSA-N
XLogP2.88
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

2-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide
CID 63679516
1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 56825447
1-cyclopropyl-3-[(2,5-difluorophenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111104348
3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 112816231
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-2-nitrobenzamide
CID 103860977
2-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119715290
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
(2S)-2-amino-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119284890
4-amino-N-[(2,4-difluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65360048
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985711

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea (CID 126769338) is 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is Cc1c(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)cnn1C.
What is the InChIKey of 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is RSWJSGKUGPPJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-11-13(9-21-22(11)2)8-20-17(24)23(15-5-6-15)10-12-3-4-14(18)7-16(12)19/h3-4,7,9,15H,5-6,8,10H2,1-2H3,(H,20,24).
What are the key properties of 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 334.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 126769338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).