N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C14H13F3N4O2 — CID 118903760

IUPACN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)12-5-11(20-21-12)13(22)19-8-1-3-9(4-2-8)23-10-6-18-7-10/h1-5,10,18H,6-7H2,(H,19,22)(H,20,21)
InChIKeyVRNAQVUDIGSOTM-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.03
Rot. Bonds4

About N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 118903760) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID118903760
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC NameN-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OC2CNC2)cc1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)12-5-11(20-21-12)13(22)19-8-1-3-9(4-2-8)23-10-6-18-7-10/h1-5,10,18H,6-7H2,(H,19,22)(H,20,21)
InChIKeyVRNAQVUDIGSOTM-UHFFFAOYSA-N
XLogP2.03
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azetidin-3-yloxy)phenyl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 118903633
N-[4-(azetidin-3-yloxy)phenyl]-4-(1-chloro-2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 118903240
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508271
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 118903664
N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508210
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-5-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120603285
5-(difluoromethyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazole-3-carboxamide;formic acid
CID 154912795
methyl 3-chloro-6-[[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 19508309
N-(2,4-difluorophenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 35528007
N-[3-[(4-aminophenyl)-(cyclopropylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 175895161
[[4-(azetidin-3-yloxy)benzoyl]amino] 2,2,2-trifluoroacetate
CID 156785712

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 118903760) is N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1ccc(OC2CNC2)cc1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VRNAQVUDIGSOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)12-5-11(20-21-12)13(22)19-8-1-3-9(4-2-8)23-10-6-18-7-10/h1-5,10,18H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 118903760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).