1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea

C18H22Cl2N4O — CID 122556095

IUPAC1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)NCc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C18H22Cl2N4O/c1-11-15(12(2)23(3)22-11)10-24(14-7-8-14)18(25)21-9-13-5-4-6-16(19)17(13)20/h4-6,14H,7-10H2,1-3H3,(H,21,25)
InChIKeyARMMJOZNUKMPEI-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.22
Rot. Bonds5

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

1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 122556095) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID122556095
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)c(C)c1CN(C(=O)NCc1cccc(Cl)c1Cl)C1CC1
InChIInChI=1S/C18H22Cl2N4O/c1-11-15(12(2)23(3)22-11)10-24(14-7-8-14)18(25)21-9-13-5-4-6-16(19)17(13)20/h4-6,14H,7-10H2,1-3H3,(H,21,25)
InChIKeyARMMJOZNUKMPEI-UHFFFAOYSA-N
XLogP4.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077
1-cyclopropyl-3-[4-(difluoromethoxy)phenyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 72910145
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
CID 72890543
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
1-cyclopropyl-3-[(3S)-3-morpholin-4-ylbutyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 125438066
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
1-cyclopropyl-3-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126445216
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
(2S)-N-cyclopropyl-2-(2-fluorophenoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 51597958
N-cyclopropyl-3,3,3-trifluoro-2-hydroxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 56879611
1-(2,3-dichlorophenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea
CID 17380759

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 122556095) is 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)c(C)c1CN(C(=O)NCc1cccc(Cl)c1Cl)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is ARMMJOZNUKMPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O/c1-11-15(12(2)23(3)22-11)10-24(14-7-8-14)18(25)21-9-13-5-4-6-16(19)17(13)20/h4-6,14H,7-10H2,1-3H3,(H,21,25).
What are the key properties of 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 381.31 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 122556095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).