2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide

C26H25F2N5O2 — CID 11853432

IUPAC2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2cc(F)ccc2F)n(-c2cc(CC(N)=O)c3ccccc3c2)n1
InChIInChI=1S/C26H25F2N5O2/c1-26(2,3)22-14-24(31-25(35)30-21-13-17(27)8-9-20(21)28)33(32-22)18-10-15-6-4-5-7-19(15)16(11-18)12-23(29)34/h4-11,13-14H,12H2,1-3H3,(H2,29,34)(H2,30,31,35)
InChIKeyFHVRETYCKPEBJB-UHFFFAOYSA-N
MW477.52 g/mol
LogP5.27
Rot. Bonds5

About 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide

2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide (PubChem CID 11853432) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide
PubChem CID11853432
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2cc(F)ccc2F)n(-c2cc(CC(N)=O)c3ccccc3c2)n1
InChIInChI=1S/C26H25F2N5O2/c1-26(2,3)22-14-24(31-25(35)30-21-13-17(27)8-9-20(21)28)33(32-22)18-10-15-6-4-5-7-19(15)16(11-18)12-23(29)34/h4-11,13-14H,12H2,1-3H3,(H2,29,34)(H2,30,31,35)
InChIKeyFHVRETYCKPEBJB-UHFFFAOYSA-N
XLogP5.27
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.52
LogP ≤ 55.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-naphthalen-1-ylurea
CID 23646852
1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 25174101
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11675856
1-[3-Tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[4-[(dimethylamino)methyl]phenyl]naphthalen-1-yl]urea
CID 11548274
3-(4-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)phenyl)propanoic acid
CID 11554302
1-[1-[4-(Trifluoromethyl)phenyl]-3-phenyl-1H-pyrazole-5-yl]-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 18475811
2-(3-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyrazol-1-yl)phenyl)acetamide
CID 21867310
1-(3-Tert-butyl-1-(3-(2-morpholino-2-oxoethyl)phenyl)-1h-pyrazol-5-yl)-3-(naphthalen-1-yl)urea
CID 21867339
(5a) BIRB796
CID 57339868
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-1-ylurea
CID 10883516
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-naphthalen-2-ylurea
CID 10915990

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide?
The IUPAC name of 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide (CID 11853432) is 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide?
The canonical SMILES for 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide is CC(C)(C)c1cc(NC(=O)Nc2cc(F)ccc2F)n(-c2cc(CC(N)=O)c3ccccc3c2)n1.
What is the InChIKey of 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide?
The InChIKey is FHVRETYCKPEBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-26(2,3)22-14-24(31-25(35)30-21-13-17(27)8-9-20(21)28)33(32-22)18-10-15-6-4-5-7-19(15)16(11-18)12-23(29)34/h4-11,13-14H,12H2,1-3H3,(H2,29,34)(H2,30,31,35).
What are the key properties of 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide?
2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-tert-butyl-5-[(2,5-difluorophenyl)carbamoylamino]pyrazol-1-yl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 11853432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).