N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C16H16F3N5O2 — CID 167745262

IUPACN-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)C1(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CNC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-2-1-3-11(6-10)24-5-4-12(23-24)13(25)22-9-15(14(20)26)7-21-8-15/h1-6,21H,7-9H2,(H2,20,26)(H,22,25)
InChIKeySLULAPGTTPAUIE-UHFFFAOYSA-N
MW367.33 g/mol
LogP0.70
Rot. Bonds5

About N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 167745262) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID167745262
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESNC(=O)C1(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CNC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)10-2-1-3-11(6-10)24-5-4-12(23-24)13(25)22-9-15(14(20)26)7-21-8-15/h1-6,21H,7-9H2,(H2,20,26)(H,22,25)
InChIKeySLULAPGTTPAUIE-UHFFFAOYSA-N
XLogP0.70
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948
2-[4-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215328
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119360865
4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 59436157
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
3,9-diazabicyclo[4.2.1]nonan-3-yl-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 119639477
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 102557711

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 167745262) is N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is NC(=O)C1(CNC(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CNC1.
What is the InChIKey of N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is SLULAPGTTPAUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)10-2-1-3-11(6-10)24-5-4-12(23-24)13(25)22-9-15(14(20)26)7-21-8-15/h1-6,21H,7-9H2,(H2,20,26)(H,22,25).
What are the key properties of N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylazetidin-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167745262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).