N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

C19H18F3N5O3 — CID 138634242

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1cn[nH]c1-c1nc(C(=O)N[C@@H](C)CO)cc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N5O3/c1-10-8-23-27-16(10)17-25-14(7-15(26-17)18(29)24-11(2)9-28)12-3-5-13(6-4-12)30-19(20,21)22/h3-8,11,28H,9H2,1-2H3,(H,23,27)(H,24,29)/t11-/m0/s1
InChIKeyYOOONEJVNWJIBK-NSHDSACASA-N
MW421.38 g/mol
LogP2.85
Rot. Bonds6

About N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 138634242) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID138634242
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
SMILESCc1cn[nH]c1-c1nc(C(=O)N[C@@H](C)CO)cc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N5O3/c1-10-8-23-27-16(10)17-25-14(7-15(26-17)18(29)24-11(2)9-28)12-3-5-13(6-4-12)30-19(20,21)22/h3-8,11,28H,9H2,1-2H3,(H,23,27)(H,24,29)/t11-/m0/s1
InChIKeyYOOONEJVNWJIBK-NSHDSACASA-N
XLogP2.85
TPSA113.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597541
2-(3,5-dichlorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090481
6-(3-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634209
2-(3-chloro-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090509
2-(1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634239
N-(1-hydroxypropan-2-yl)-2-(2-methylpyrazol-3-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155099695
2-(3-cyano-4-fluorophenyl)-N-(1-hydroxypropan-2-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 155090489
2-(3-cyano-4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 142597546
N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
CID 138634429
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(3-methylthiophen-2-yl)pyrimidine-4-carboxamide
CID 138634434
6-(4-chlorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methylthiophen-3-yl)pyrimidine-4-carboxamide
CID 142597434
6-(4-chlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-[(2S)-1-hydroxypropan-2-yl]pyrimidine-4-carboxamide
CID 142597564

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide (CID 138634242) is N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is Cc1cn[nH]c1-c1nc(C(=O)N[C@@H](C)CO)cc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is YOOONEJVNWJIBK-NSHDSACASA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-10-8-23-27-16(10)17-25-14(7-15(26-17)18(29)24-11(2)9-28)12-3-5-13(6-4-12)30-19(20,21)22/h3-8,11,28H,9H2,1-2H3,(H,23,27)(H,24,29)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2-(4-methyl-1H-pyrazol-5-yl)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138634242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).