N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine

C13H16N4 — CID 175103199

IUPACN-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESC=C(C)c1ccc(Cn2cc(NC)cn2)cn1
InChIInChI=1S/C13H16N4/c1-10(2)13-5-4-11(6-15-13)8-17-9-12(14-3)7-16-17/h4-7,9,14H,1,8H2,2-3H3
InChIKeyVQQWPVLSYSJSEX-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.40
Rot. Bonds4

About N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine

N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine (PubChem CID 175103199) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine
PubChem CID175103199
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine
SMILESC=C(C)c1ccc(Cn2cc(NC)cn2)cn1
InChIInChI=1S/C13H16N4/c1-10(2)13-5-4-11(6-15-13)8-17-9-12(14-3)7-16-17/h4-7,9,14H,1,8H2,2-3H3
InChIKeyVQQWPVLSYSJSEX-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 175100046
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
N-methyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-amine
CID 175103216
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
N-methyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]pyrazol-4-amine
CID 175094718
N-methyl-1-[(2,3,4-trifluorophenyl)methyl]pyrazol-4-amine
CID 175103195
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-prop-1-en-2-yl-1,2-oxazole-3-carboxamide
CID 146220506
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19411730
1-[(2-chloro-4-fluorophenyl)methyl]-N-methylpyrazol-4-amine;hydrochloride
CID 175103248
[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamic acid
CID 69075469

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine?
The IUPAC name of N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine (CID 175103199) is N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine.
What is the SMILES notation for N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine?
The canonical SMILES for N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine is C=C(C)c1ccc(Cn2cc(NC)cn2)cn1.
What is the InChIKey of N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine?
The InChIKey is VQQWPVLSYSJSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10(2)13-5-4-11(6-15-13)8-17-9-12(14-3)7-16-17/h4-7,9,14H,1,8H2,2-3H3.
What are the key properties of N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine?
N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine has a molecular weight of 228.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(6-prop-1-en-2-yl-3-pyridinyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 175103199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).