(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine

C13H14F3N5 — CID 32874371

IUPAC(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-21-10-4-2-3-9(8(10)7-18-21)19-12-17-6-5-11(20-12)13(14,15)16/h5-7,9H,2-4H2,1H3,(H,17,19,20)/t9-/m0/s1
InChIKeyQPUDXGUHZSGMTP-VIFPVBQESA-N
MW297.28 g/mol
LogP2.72
Rot. Bonds2

About (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 32874371) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID32874371
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCn1ncc2c1CCC[C@@H]2Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N5/c1-21-10-4-2-3-9(8(10)7-18-21)19-12-17-6-5-11(20-12)13(14,15)16/h5-7,9H,2-4H2,1H3,(H,17,19,20)/t9-/m0/s1
InChIKeyQPUDXGUHZSGMTP-VIFPVBQESA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine (CID 32874371) is (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine is Cn1ncc2c1CCC[C@@H]2Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is QPUDXGUHZSGMTP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14F3N5/c1-21-10-4-2-3-9(8(10)7-18-21)19-12-17-6-5-11(20-12)13(14,15)16/h5-7,9H,2-4H2,1H3,(H,17,19,20)/t9-/m0/s1.
What are the key properties of (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 297.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 32874371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).