1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

C25H29N5O3 — CID 26396065

IUPAC1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C25H29N5O3/c1-17-8-9-20(18(2)16-17)24(31)29-14-11-19(12-15-29)30-23(10-13-26-30)28-25(32)27-21-6-4-5-7-22(21)33-3/h4-10,13,16,19H,11-12,14-15H2,1-3H3,(H2,27,28,32)
InChIKeyXCJOWIFGNLKBIU-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 26396065) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID26396065
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C25H29N5O3/c1-17-8-9-20(18(2)16-17)24(31)29-14-11-19(12-15-29)30-23(10-13-26-30)28-25(32)27-21-6-4-5-7-22(21)33-3/h4-10,13,16,19H,11-12,14-15H2,1-3H3,(H2,27,28,32)
InChIKeyXCJOWIFGNLKBIU-UHFFFAOYSA-N
XLogP4.63
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
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-(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
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24817787
2-methoxy-N-[2-[1-(1,2,5-thiadiazole-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (CID 26396065) is 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1ccnn1C1CCN(C(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is XCJOWIFGNLKBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17-8-9-20(18(2)16-17)24(31)29-14-11-19(12-15-29)30-23(10-13-26-30)28-25(32)27-21-6-4-5-7-22(21)33-3/h4-10,13,16,19H,11-12,14-15H2,1-3H3,(H2,27,28,32).
What are the key properties of 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 447.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 26396065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).