1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

C22H25ClN6O — CID 166231700

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C22H25ClN6O/c1-16(17-6-10-24-11-7-17)28-12-8-18(9-13-28)26-22(30)27-19-14-25-29(15-19)21-5-3-2-4-20(21)23/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H2,26,27,30)
InChIKeyFJIXIPIFWHNZHI-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.27
Rot. Bonds5

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (PubChem CID 166231700) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
PubChem CID166231700
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
SMILESCC(c1ccncc1)N1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1
InChIInChI=1S/C22H25ClN6O/c1-16(17-6-10-24-11-7-17)28-12-8-18(9-13-28)26-22(30)27-19-14-25-29(15-19)21-5-3-2-4-20(21)23/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H2,26,27,30)
InChIKeyFJIXIPIFWHNZHI-UHFFFAOYSA-N
XLogP4.27
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 126793193
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]acetamide
CID 166231856
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
CID 86895938
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
N-[1-[(1S)-1-pyridin-4-ylethyl]piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 99700655
1-methyl-N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 166296337
1-[1-(2-fluorophenyl)pyrazol-4-yl]-3-(1-methyl-2-oxopyrrolidin-3-yl)urea
CID 155949446
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 75386726

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea (CID 166231700) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is CC(c1ccncc1)N1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
The InChIKey is FJIXIPIFWHNZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-16(17-6-10-24-11-7-17)28-12-8-18(9-13-28)26-22(30)27-19-14-25-29(15-19)21-5-3-2-4-20(21)23/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H2,26,27,30).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea has a molecular weight of 424.94 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]urea is sourced from PubChem (CID 166231700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).