N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C17H17F4N3O2 — CID 73212664

IUPACN-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C17H17F4N3O2/c18-13-6-12(25)5-4-11(13)9-24(8-10-2-1-3-10)16(26)14-7-15(23-22-14)17(19,20)21/h4-7,10,25H,1-3,8-9H2,(H,22,23)
InChIKeyDDRVQSNEKTZLSB-UHFFFAOYSA-N
MW371.33 g/mol
LogP3.72
Rot. Bonds5

About N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 73212664) has the molecular formula C17H17F4N3O2 and a molecular weight of 371.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID73212664
Molecular FormulaC17H17F4N3O2
Molecular Weight371.33 g/mol
Exact Mass371.13
IUPAC NameN-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1
InChIInChI=1S/C17H17F4N3O2/c18-13-6-12(25)5-4-11(13)9-24(8-10-2-1-3-10)16(26)14-7-15(23-22-14)17(19,20)21/h4-7,10,25H,1-3,8-9H2,(H,22,23)
InChIKeyDDRVQSNEKTZLSB-UHFFFAOYSA-N
XLogP3.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 73212664) is N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(c1cc(C(F)(F)F)[nH]n1)N(Cc1ccc(O)cc1F)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is DDRVQSNEKTZLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O2/c18-13-6-12(25)5-4-11(13)9-24(8-10-2-1-3-10)16(26)14-7-15(23-22-14)17(19,20)21/h4-7,10,25H,1-3,8-9H2,(H,22,23).
What are the key properties of N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 371.33 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[(2-fluoro-4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 73212664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).