1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea

C24H26FN5O3 — CID 45247638

IUPAC1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOC(C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H26FN5O3/c1-33-22(17-6-3-2-4-7-17)23(31)29-14-11-20(12-15-29)30-21(10-13-26-30)28-24(32)27-19-9-5-8-18(25)16-19/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H2,27,28,32)
InChIKeyJZCFUMSRLDNQGB-UHFFFAOYSA-N
MW451.50 g/mol
LogP4.22
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea

1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea (PubChem CID 45247638) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
PubChem CID45247638
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
SMILESCOC(C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1
InChIInChI=1S/C24H26FN5O3/c1-33-22(17-6-3-2-4-7-17)23(31)29-14-11-20(12-15-29)30-21(10-13-26-30)28-24(32)27-19-9-5-8-18(25)16-19/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H2,27,28,32)
InChIKeyJZCFUMSRLDNQGB-UHFFFAOYSA-N
XLogP4.22
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-{1-[1-(4-methylbenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-phenylacetamide
CID 24790333
US10040788, Example 13(a)
CID 118542691
US10294221, Example 12(a)
CID 118554579
US10040788, Example 12(a)
CID 118554580
US9938265, Example 10(a)
CID 129161430
US10294221, Example 13(a)
CID 129161513
US9938265, Example 10(b)
CID 129161600
2-methoxy-N-(1-{1-[(6-methyl-2-pyridinyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24791305
2-methoxy-N-{1-[1-(3-methoxybenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-phenylacetamide
CID 24794086
2-methoxy-2-phenyl-N-{1-[1-(2-pyridinylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide
CID 24819514
2-methoxy-N-(1-{1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819656
N-{1-[1-(4-formylbenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxy-2-phenylacetamide
CID 24790605

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea (CID 45247638) is 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea is COC(C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1)c1ccccc1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
The InChIKey is JZCFUMSRLDNQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-33-22(17-6-3-2-4-7-17)23(31)29-14-11-20(12-15-29)30-21(10-13-26-30)28-24(32)27-19-9-5-8-18(25)16-19/h2-10,13,16,20,22H,11-12,14-15H2,1H3,(H2,27,28,32).
What are the key properties of 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea?
1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea has a molecular weight of 451.50 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-[1-(2-methoxy-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]urea is sourced from PubChem (CID 45247638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).