N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide

C20H14F3N5O — CID 137434662

IUPACN-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C20H14F3N5O/c1-11-8-12(2-4-15(11)27-19(29)17-6-7-25-28-17)18-24-10-13-9-14(20(21,22)23)3-5-16(13)26-18/h2-10H,1H3,(H,25,28)(H,27,29)
InChIKeyWTNVCQMOINWCSF-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.60
Rot. Bonds3

About N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide

N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 137434662) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID137434662
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC NameN-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1NC(=O)c1ccn[nH]1
InChIInChI=1S/C20H14F3N5O/c1-11-8-12(2-4-15(11)27-19(29)17-6-7-25-28-17)18-24-10-13-9-14(20(21,22)23)3-5-16(13)26-18/h2-10H,1H3,(H,25,28)(H,27,29)
InChIKeyWTNVCQMOINWCSF-UHFFFAOYSA-N
XLogP4.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide (CID 137434662) is N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1NC(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WTNVCQMOINWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-11-8-12(2-4-15(11)27-19(29)17-6-7-25-28-17)18-24-10-13-9-14(20(21,22)23)3-5-16(13)26-18/h2-10H,1H3,(H,25,28)(H,27,29).
What are the key properties of N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide?
N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 137434662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).