N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide

C13H14F3N5O — CID 29084238

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCn2cccn2)n1
InChIInChI=1S/C13H14F3N5O/c1-9-7-10(13(14,15)16)20-11(19-9)8-17-12(22)3-6-21-5-2-4-18-21/h2,4-5,7H,3,6,8H2,1H3,(H,17,22)
InChIKeyFRHSXBMDXSYSCO-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.71
Rot. Bonds5

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 29084238) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide
PubChem CID29084238
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide
SMILESCc1cc(C(F)(F)F)nc(CNC(=O)CCn2cccn2)n1
InChIInChI=1S/C13H14F3N5O/c1-9-7-10(13(14,15)16)20-11(19-9)8-17-12(22)3-6-21-5-2-4-18-21/h2,4-5,7H,3,6,8H2,1H3,(H,17,22)
InChIKeyFRHSXBMDXSYSCO-UHFFFAOYSA-N
XLogP1.71
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-isobutyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821351
N-{2-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]ethyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91911715
N-[3-[[2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900909
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[2-(2-methylimidazol-1-yl)ethyl]propanamide
CID 46981387
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53625143
N-{[5-(cyclobutylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methylpyrimidin-4-amine
CID 70708303
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71995901
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N-propylpropanamide
CID 72024817
3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]-N,N-diethylpropanamide
CID 72024819
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]ethyl]-2-methylpropanamide
CID 72024834
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72044267

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide (CID 29084238) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide is Cc1cc(C(F)(F)F)nc(CNC(=O)CCn2cccn2)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is FRHSXBMDXSYSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-9-7-10(13(14,15)16)20-11(19-9)8-17-12(22)3-6-21-5-2-4-18-21/h2,4-5,7H,3,6,8H2,1H3,(H,17,22).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 313.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 29084238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).