(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine

C14H18N4 — CID 99841792

IUPAC(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESC=Cn1cc(CN(C)[C@H](C)c2ccccn2)cn1
InChIInChI=1S/C14H18N4/c1-4-18-11-13(9-16-18)10-17(3)12(2)14-7-5-6-8-15-14/h4-9,11-12H,1,10H2,2-3H3/t12-/m1/s1
InChIKeyQLCKOTCNWLPSPC-GFCCVEGCSA-N
MW242.33 g/mol
LogP2.57
Rot. Bonds5

About (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine

(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 99841792) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
PubChem CID99841792
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESC=Cn1cc(CN(C)[C@H](C)c2ccccn2)cn1
InChIInChI=1S/C14H18N4/c1-4-18-11-13(9-16-18)10-17(3)12(2)14-7-5-6-8-15-14/h4-9,11-12H,1,10H2,2-3H3/t12-/m1/s1
InChIKeyQLCKOTCNWLPSPC-GFCCVEGCSA-N
XLogP2.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;3-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]pyrazol-1-yl]propanoic acid
CID 171687066
N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
CID 56716440
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 95120319
(1S)-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-1-pyridin-2-ylethanamine
CID 95144676
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
2-N-[(1-ethenylpyrazol-4-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106937204
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274
(1R)-N-methyl-N-[(1-methylindol-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 95133375
2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine (CID 99841792) is (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine is C=Cn1cc(CN(C)[C@H](C)c2ccccn2)cn1.
What is the InChIKey of (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is QLCKOTCNWLPSPC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-18-11-13(9-16-18)10-17(3)12(2)14-7-5-6-8-15-14/h4-9,11-12H,1,10H2,2-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 99841792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).