1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea

C17H22FN5O — CID 97329029

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
SMILESCc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)nn1C
InChIInChI=1S/C17H22FN5O/c1-12-10-16(21-22(12)2)20-17(24)19-13-6-5-9-23(11-13)15-8-4-3-7-14(15)18/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,19,20,21,24)/t13-/m1/s1
InChIKeyCNLVQKWJQUTKLK-CYBMUJFWSA-N
MW331.40 g/mol
LogP2.66
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea

1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea (PubChem CID 97329029) has the molecular formula C17H22FN5O and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
PubChem CID97329029
Molecular FormulaC17H22FN5O
Molecular Weight331.40 g/mol
Exact Mass331.18
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea
SMILESCc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)nn1C
InChIInChI=1S/C17H22FN5O/c1-12-10-16(21-22(12)2)20-17(24)19-13-6-5-9-23(11-13)15-8-4-3-7-14(15)18/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,19,20,21,24)/t13-/m1/s1
InChIKeyCNLVQKWJQUTKLK-CYBMUJFWSA-N
XLogP2.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 95629403
(3S)-N-(1,5-dimethylpyrazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 99805424
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
1-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 99850766
1-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-(1-methylindol-6-yl)urea
CID 166229289
N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124741629
2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615432
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
CID 166237838
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea (CID 97329029) is 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea is Cc1cc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea?
The InChIKey is CNLVQKWJQUTKLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-12-10-16(21-22(12)2)20-17(24)19-13-6-5-9-23(11-13)15-8-4-3-7-14(15)18/h3-4,7-8,10,13H,5-6,9,11H2,1-2H3,(H2,19,20,21,24)/t13-/m1/s1.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea?
1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea has a molecular weight of 331.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]urea is sourced from PubChem (CID 97329029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).