1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea

C17H20ClN5O2 — CID 19449713

IUPAC1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
SMILESCn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H20ClN5O2/c1-22-15(16(24)23-8-3-2-4-9-23)14(11-19-22)21-17(25)20-13-7-5-6-12(18)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H2,20,21,25)
InChIKeyBJTIWZRKYFPWGA-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.34
Rot. Bonds3

About 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea

1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea (PubChem CID 19449713) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
PubChem CID19449713
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea
SMILESCn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N1CCCCC1
InChIInChI=1S/C17H20ClN5O2/c1-22-15(16(24)23-8-3-2-4-9-23)14(11-19-22)21-17(25)20-13-7-5-6-12(18)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H2,20,21,25)
InChIKeyBJTIWZRKYFPWGA-UHFFFAOYSA-N
XLogP3.34
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
4-[(3-chlorophenyl)carbamothioylamino]-1-methylpyrazole-5-carboxylic acid
CID 19343563
3-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19336985
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047
3-(2,4-dichlorophenyl)-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19338768
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-chlorophenyl)urea
CID 16948749
1-(3-chlorophenyl)-3-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 42659108
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19449734
3-methoxy-2-methyl-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19338744
2-(azepan-1-yl)-N-(3-chlorophenyl)-2-oxoacetamide
CID 47335488
1-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea
CID 19445675

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea (CID 19449713) is 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea is Cn1ncc(NC(=O)Nc2cccc(Cl)c2)c1C(=O)N1CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea?
The InChIKey is BJTIWZRKYFPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-22-15(16(24)23-8-3-2-4-9-23)14(11-19-22)21-17(25)20-13-7-5-6-12(18)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H2,20,21,25).
What are the key properties of 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea?
1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea has a molecular weight of 361.83 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]urea is sourced from PubChem (CID 19449713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).