1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

C14H16Cl2N4O — CID 7470090

IUPAC1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C
InChIInChI=1S/C14H16Cl2N4O/c1-8(13-7-17-20(3)9(13)2)18-14(21)19-12-5-10(15)4-11(16)6-12/h4-8H,1-3H3,(H2,18,19,21)/t8-/m0/s1
InChIKeyIRJZMQAXEDEWDL-QMMMGPOBSA-N
MW327.22 g/mol
LogP3.92
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea

1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 7470090) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID7470090
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC Name1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1c([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C
InChIInChI=1S/C14H16Cl2N4O/c1-8(13-7-17-20(3)9(13)2)18-14(21)19-12-5-10(15)4-11(16)6-12/h4-8H,1-3H3,(H2,18,19,21)/t8-/m0/s1
InChIKeyIRJZMQAXEDEWDL-QMMMGPOBSA-N
XLogP3.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94166977
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
CID 19469091
2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
CID 48529543
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
6-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46975846
2-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 19468969
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea (CID 7470090) is 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is Cc1c([C@H](C)NC(=O)Nc2cc(Cl)cc(Cl)c2)cnn1C.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is IRJZMQAXEDEWDL-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-8(13-7-17-20(3)9(13)2)18-14(21)19-12-5-10(15)4-11(16)6-12/h4-8H,1-3H3,(H2,18,19,21)/t8-/m0/s1.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea?
1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 327.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 7470090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).