N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H21F3N4O — CID 166260812

IUPACN-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCN2C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-13(2,3)21-6-5-9(21)8-18-12(22)10-7-11(14(15,16)17)20(4)19-10/h7,9H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyMOHZYNPZXBKBRO-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.04
Rot. Bonds3

About N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 166260812) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID166260812
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC NameN-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCN2C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N4O/c1-13(2,3)21-6-5-9(21)8-18-12(22)10-7-11(14(15,16)17)20(4)19-10/h7,9H,5-6,8H2,1-4H3,(H,18,22)
InChIKeyMOHZYNPZXBKBRO-UHFFFAOYSA-N
XLogP2.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 166260812) is N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)NCC2CCN2C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is MOHZYNPZXBKBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-13(2,3)21-6-5-9(21)8-18-12(22)10-7-11(14(15,16)17)20(4)19-10/h7,9H,5-6,8H2,1-4H3,(H,18,22).
What are the key properties of N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylazetidin-2-yl)methyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166260812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).