(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

C14H21N5 — CID 99942942

IUPAC(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
SMILESCc1n[nH]c(C)c1CN(C)[C@@H](C)Cc1cnccn1
InChIInChI=1S/C14H21N5/c1-10(7-13-8-15-5-6-16-13)19(4)9-14-11(2)17-18-12(14)3/h5-6,8,10H,7,9H2,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyZQAZZEUKICDJDN-JTQLQIEISA-N
MW259.36 g/mol
LogP1.88
Rot. Bonds5

About (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine

(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine (PubChem CID 99942942) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
PubChem CID99942942
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
SMILESCc1n[nH]c(C)c1CN(C)[C@@H](C)Cc1cnccn1
InChIInChI=1S/C14H21N5/c1-10(7-13-8-15-5-6-16-13)19(4)9-14-11(2)17-18-12(14)3/h5-6,8,10H,7,9H2,1-4H3,(H,17,18)/t10-/m0/s1
InChIKeyZQAZZEUKICDJDN-JTQLQIEISA-N
XLogP1.88
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine with MolForge

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Related Compounds

(2R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 126441426
3-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]pyridin-2-amine
CID 99934058
(2S)-N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 124754261
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 77096482
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
6-methyl-3-[2-[methyl(1-pyrazin-2-ylpropan-2-yl)amino]ethyl]-1H-pyrimidine-2,4-dione
CID 91843148
N-[2-(2,4-dimethylphenoxy)ethyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine
CID 91843012
(2R)-1-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 97087949
7-[[methyl-[(2S)-1-pyrazin-2-ylpropan-2-yl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 124754286
1-[2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]ethyl]pyrrolidin-2-one
CID 124750591
2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone
CID 124757680
5-(hydroxymethyl)-2-methyl-4-[[methyl(1-pyridin-2-ylpropan-2-yl)amino]methyl]pyridin-3-ol
CID 56721630

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine (CID 99942942) is (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine is Cc1n[nH]c(C)c1CN(C)[C@@H](C)Cc1cnccn1.
What is the InChIKey of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
The InChIKey is ZQAZZEUKICDJDN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5/c1-10(7-13-8-15-5-6-16-13)19(4)9-14-11(2)17-18-12(14)3/h5-6,8,10H,7,9H2,1-4H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine?
(2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine has a molecular weight of 259.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-1-pyrazin-2-ylpropan-2-amine is sourced from PubChem (CID 99942942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).