1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

C15H19ClN4O2 — CID 97101111

IUPAC1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C15H19ClN4O2/c1-4-22-14-7-12(16)5-6-13(14)19-15(21)18-10(2)11-8-17-20(3)9-11/h5-10H,4H2,1-3H3,(H2,18,19,21)/t10-/m0/s1
InChIKeyAOUQZEHTYVSYNR-JTQLQIEISA-N
MW322.80 g/mol
LogP3.35
Rot. Bonds5

About 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea

1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 97101111) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID97101111
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESCCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cnn(C)c1
InChIInChI=1S/C15H19ClN4O2/c1-4-22-14-7-12(16)5-6-13(14)19-15(21)18-10(2)11-8-17-20(3)9-11/h5-10H,4H2,1-3H3,(H2,18,19,21)/t10-/m0/s1
InChIKeyAOUQZEHTYVSYNR-JTQLQIEISA-N
XLogP3.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
1-(2,3-dichlorophenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147163
5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
1-[3-(4-chlorophenyl)propyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 125130730
methyl 4-methyl-3-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]benzoate
CID 125130711
N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 56790130
1-[(1S)-4-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97219009
1-[1-(1-methylpyrazol-4-yl)ethyl]-3-(5-propan-2-yl-1,2-oxazol-3-yl)urea
CID 146129464
1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96520021
1-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96520019
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96524434

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 97101111) is 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cnn(C)c1.
What is the InChIKey of 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is AOUQZEHTYVSYNR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-4-22-14-7-12(16)5-6-13(14)19-15(21)18-10(2)11-8-17-20(3)9-11/h5-10H,4H2,1-3H3,(H2,18,19,21)/t10-/m0/s1.
What are the key properties of 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 322.80 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-ethoxyphenyl)-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 97101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).