N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide

C17H14F3N7O — CID 51353438

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C17H14F3N7O/c1-9-12(7-21-8-24-9)15(28)25-11-5-22-16(23-6-11)27-13(10-2-3-10)4-14(26-27)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,25,28)
InChIKeyUQKBZWKRMAQMOD-UHFFFAOYSA-N
MW389.34 g/mol
LogP2.91
Rot. Bonds4

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 51353438) has the molecular formula C17H14F3N7O and a molecular weight of 389.34 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID51353438
Molecular FormulaC17H14F3N7O
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1
InChIInChI=1S/C17H14F3N7O/c1-9-12(7-21-8-24-9)15(28)25-11-5-22-16(23-6-11)27-13(10-2-3-10)4-14(26-27)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,25,28)
InChIKeyUQKBZWKRMAQMOD-UHFFFAOYSA-N
XLogP2.91
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-7-(difluoromethyl)-N-3-pyridinylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1257401
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-2,6-difluorobenzamide
CID 51353376
N-{4-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-3-fluorophenyl}-4-methylpyrimidine-5-carboxamide
CID 57518335
N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}nicotinamide
CID 57518351
N-{6-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]pyridin-3-yl}isonicotinamide
CID 57518353
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-3-fluoropyridine-4-carboxamide
CID 57518354
US11214565, Example A-61
CID 132232420
US11214565, Example A-27
CID 132232453
US11214565, Example A-21
CID 135374535
5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
US11214565, Example A-26
CID 132232416
US11214565, Example A-59
CID 132232484

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide (CID 51353438) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide is Cc1ncncc1C(=O)Nc1cnc(-n2nc(C(F)(F)F)cc2C2CC2)nc1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is UQKBZWKRMAQMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7O/c1-9-12(7-21-8-24-9)15(28)25-11-5-22-16(23-6-11)27-13(10-2-3-10)4-14(26-27)17(18,19)20/h4-8,10H,2-3H2,1H3,(H,25,28).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 389.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 51353438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).