1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

C20H22ClN7O2 — CID 25371671

IUPAC1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCn1nccc1C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN7O2/c1-26-17(6-10-22-26)19(29)27-12-8-14(9-13-27)28-18(7-11-23-28)25-20(30)24-16-5-3-2-4-15(16)21/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,25,30)
InChIKeyWQZCCGQQMXMNLK-UHFFFAOYSA-N
MW427.90 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 25371671) has the molecular formula C20H22ClN7O2 and a molecular weight of 427.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID25371671
Molecular FormulaC20H22ClN7O2
Molecular Weight427.90 g/mol
Exact Mass427.15
IUPAC Name1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCn1nccc1C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C20H22ClN7O2/c1-26-17(6-10-22-26)19(29)27-12-8-14(9-13-27)28-18(7-11-23-28)25-20(30)24-16-5-3-2-4-15(16)21/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,25,30)
InChIKeyWQZCCGQQMXMNLK-UHFFFAOYSA-N
XLogP3.39
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.90
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
1-(2-chlorophenyl)-3-[2-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25298239
4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 26327836
1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26321155
1-(2-chlorophenyl)-3-[2-[1-(3-cyclopentylpropyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26320023
1-(2-chlorophenyl)-3-[2-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 42462202
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 24819333
1-[2-(1-but-3-enoylpiperidin-4-yl)pyrazol-3-yl]-3-(2-methylphenyl)urea
CID 25370807
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 25371671) is 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is Cn1nccc1C(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is WQZCCGQQMXMNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O2/c1-26-17(6-10-22-26)19(29)27-12-8-14(9-13-27)28-18(7-11-23-28)25-20(30)24-16-5-3-2-4-15(16)21/h2-7,10-11,14H,8-9,12-13H2,1H3,(H2,24,25,30).
What are the key properties of 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 427.90 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 25371671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).