1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

C13H23N5O3S — CID 122566915

IUPAC1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H23N5O3S/c1-16(2)22(20,21)7-6-14-13(19)18(12-4-5-12)10-11-8-15-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3,(H,14,19)
InChIKeyLRCPRCGASIGKLY-UHFFFAOYSA-N
MW329.43 g/mol
LogP-0.01
Rot. Bonds7

About 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea

1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 122566915) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID122566915
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(C)S(=O)(=O)CCNC(=O)N(Cc1cnn(C)c1)C1CC1
InChIInChI=1S/C13H23N5O3S/c1-16(2)22(20,21)7-6-14-13(19)18(12-4-5-12)10-11-8-15-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3,(H,14,19)
InChIKeyLRCPRCGASIGKLY-UHFFFAOYSA-N
XLogP-0.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-(3-methoxy-2,2-dimethylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 122565755
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 94030439
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
3-(4-chloro-2-ethylphenyl)-1-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 72929949
1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119060843
N-cyclopropyl-2-ethoxy-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119060916
1-(cyclopropanecarbonyl)-N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 72865138
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-[5-[[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]-2-methoxyphenyl]acetamide
CID 72872136
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 122566915) is 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is CN(C)S(=O)(=O)CCNC(=O)N(Cc1cnn(C)c1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is LRCPRCGASIGKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-16(2)22(20,21)7-6-14-13(19)18(12-4-5-12)10-11-8-15-17(3)9-11/h8-9,12H,4-7,10H2,1-3H3,(H,14,19).
What are the key properties of 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 329.43 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(dimethylsulfamoyl)ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 122566915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).