(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C17H17F2N5 — CID 29210748

IUPAC(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESC[C@@H](c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N5/c1-11(16-5-6-20-10-21-16)24(2)9-12-8-22-23-17(12)14-4-3-13(18)7-15(14)19/h3-8,10-11H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyCPWHTDXCYLKNNK-NSHDSACASA-N
MW329.35 g/mol
LogP3.34
Rot. Bonds5

About (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 29210748) has the molecular formula C17H17F2N5 and a molecular weight of 329.35 g/mol. Its IUPAC name is (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID29210748
Molecular FormulaC17H17F2N5
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Name(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESC[C@@H](c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C17H17F2N5/c1-11(16-5-6-20-10-21-16)24(2)9-12-8-22-23-17(12)14-4-3-13(18)7-15(14)19/h3-8,10-11H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyCPWHTDXCYLKNNK-NSHDSACASA-N
XLogP3.34
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
6-fluoro-2-[[methyl-[(1R)-1-pyrimidin-4-ylethyl]amino]methyl]-1H-quinolin-4-one
CID 97152784
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 25282068
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 45169458
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 42289115
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
7-[[methyl(1-pyrimidin-4-ylethyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56711742

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 29210748) is (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is C[C@@H](c1ccncn1)N(C)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is CPWHTDXCYLKNNK-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F2N5/c1-11(16-5-6-20-10-21-16)24(2)9-12-8-22-23-17(12)14-4-3-13(18)7-15(14)19/h3-8,10-11H,9H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 329.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 29210748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).