1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

C17H24ClN5O — CID 124852743

IUPAC1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
SMILESCc1cnn(CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H24ClN5O/c1-13-10-20-23(11-13)9-8-19-17(24)21-16(12-22(2)3)14-4-6-15(18)7-5-14/h4-7,10-11,16H,8-9,12H2,1-3H3,(H2,19,21,24)/t16-/m1/s1
InChIKeyVHVWFAPONHFYTI-MRXNPFEDSA-N
MW349.87 g/mol
LogP2.45
Rot. Bonds7

About 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea

1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea (PubChem CID 124852743) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
PubChem CID124852743
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea
SMILESCc1cnn(CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H24ClN5O/c1-13-10-20-23(11-13)9-8-19-17(24)21-16(12-22(2)3)14-4-6-15(18)7-5-14/h4-7,10-11,16H,8-9,12H2,1-3H3,(H2,19,21,24)/t16-/m1/s1
InChIKeyVHVWFAPONHFYTI-MRXNPFEDSA-N
XLogP2.45
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 100751884
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 100752449
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
4-chloro-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 4862990
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 114130254
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 60610484
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
(2S)-2-hydroxy-4-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]butanoic acid
CID 114131625
1-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyrimidin-4-ylurea
CID 125141657
2-methyl-2-[2-(4-methylpyrazol-1-yl)ethylcarbamoylamino]propanoic acid
CID 113363990
6-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
CID 113237981

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea (CID 124852743) is 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea is Cc1cnn(CCNC(=O)N[C@H](CN(C)C)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
The InChIKey is VHVWFAPONHFYTI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-13-10-20-23(11-13)9-8-19-17(24)21-16(12-22(2)3)14-4-6-15(18)7-5-14/h4-7,10-11,16H,8-9,12H2,1-3H3,(H2,19,21,24)/t16-/m1/s1.
What are the key properties of 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea?
1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea has a molecular weight of 349.87 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-[2-(4-methylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 124852743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).