1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C14H18ClN5O — CID 56793753

IUPAC1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(C)c1ccc(Cl)cc1NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C14H18ClN5O/c1-19(2)13-5-4-11(15)6-12(13)18-14(21)16-7-10-8-17-20(3)9-10/h4-6,8-9H,7H2,1-3H3,(H2,16,18,21)
InChIKeyPDFBBADXOMOZDJ-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.46
Rot. Bonds4

About 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 56793753) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID56793753
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCN(C)c1ccc(Cl)cc1NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C14H18ClN5O/c1-19(2)13-5-4-11(15)6-12(13)18-14(21)16-7-10-8-17-20(3)9-10/h4-6,8-9H,7H2,1-3H3,(H2,16,18,21)
InChIKeyPDFBBADXOMOZDJ-UHFFFAOYSA-N
XLogP2.46
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 55051270
1-(5-chloro-2-methoxyphenyl)-3-[(1-ethylpyrazol-4-yl)methyl]urea
CID 35276225
2-[2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534232
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110903365
4-[(4-chlorophenyl)carbamoylamino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19449703
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263
4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 131932799
1-[5-chloro-2-(dimethylamino)phenyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111435035
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]propanamide
CID 43700084
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 72888553

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 56793753) is 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is CN(C)c1ccc(Cl)cc1NC(=O)NCc1cnn(C)c1.
What is the InChIKey of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is PDFBBADXOMOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-19(2)13-5-4-11(15)6-12(13)18-14(21)16-7-10-8-17-20(3)9-10/h4-6,8-9H,7H2,1-3H3,(H2,16,18,21).
What are the key properties of 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 307.79 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(dimethylamino)phenyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 56793753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).