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

C19H18F3N5 — CID 32882998

IUPAC(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFC(F)(F)c1ccnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)17-9-10-23-18(26-17)25-15-7-4-8-16-14(15)11-24-27(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,23,25,26)/t15-/m0/s1
InChIKeyMRRVUUVWVFMTMF-HNNXBMFYSA-N
MW373.38 g/mol
LogP4.23
Rot. Bonds4

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

(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 32882998) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID32882998
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESFC(F)(F)c1ccnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1
InChIInChI=1S/C19H18F3N5/c20-19(21,22)17-9-10-23-18(26-17)25-15-7-4-8-16-14(15)11-24-27(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,23,25,26)/t15-/m0/s1
InChIKeyMRRVUUVWVFMTMF-HNNXBMFYSA-N
XLogP4.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-1-methyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine
CID 32874371
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 46570687
(4S)-1-benzyl-N-[4-(difluoromethylsulfonyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 94410192
4-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409203
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55624911
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
5-[[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 94410190
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
2-[[[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]amino]methylidene]propanedinitrile
CID 39323178
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 56575257

Frequently Asked Questions

What is the IUPAC name of (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine (CID 32882998) is (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine is FC(F)(F)c1ccnc(N[C@H]2CCCc3c2cnn3Cc2ccccc2)n1.
What is the InChIKey of (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is MRRVUUVWVFMTMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18F3N5/c20-19(21,22)17-9-10-23-18(26-17)25-15-7-4-8-16-14(15)11-24-27(16)12-13-5-2-1-3-6-13/h1-3,5-6,9-11,15H,4,7-8,12H2,(H,23,25,26)/t15-/m0/s1.
What are the key properties of (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 373.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-benzyl-N-[4-(trifluoromethyl)pyrimidin-2-yl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 32882998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).