N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine

C13H14N4 — CID 121210871

IUPACN-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
SMILESC#CCn1nc(-c2cccnc2)cc1CNC
InChIInChI=1S/C13H14N4/c1-3-7-17-12(10-14-2)8-13(16-17)11-5-4-6-15-9-11/h1,4-6,8-9,14H,7,10H2,2H3
InChIKeyHTSZTQAGNAYFPB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine

N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine (PubChem CID 121210871) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
PubChem CID121210871
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine
SMILESC#CCn1nc(-c2cccnc2)cc1CNC
InChIInChI=1S/C13H14N4/c1-3-7-17-12(10-14-2)8-13(16-17)11-5-4-6-15-9-11/h1,4-6,8-9,14H,7,10H2,2H3
InChIKeyHTSZTQAGNAYFPB-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
CID 121211783
1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
CID 121210948
2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211870
N-methyl-1-(6-pyridin-3-ylpyrimidin-4-yl)methanamine
CID 83847968
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
4-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]thiophene-2-carboxamide
CID 121020097
N-methyl-1-[1-(2-pyridin-3-ylethyl)pyrrol-2-yl]methanamine
CID 66400952
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633
2-[2-(dimethylamino)ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 147180179
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine (CID 121210871) is N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine is C#CCn1nc(-c2cccnc2)cc1CNC.
What is the InChIKey of N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine?
The InChIKey is HTSZTQAGNAYFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-3-7-17-12(10-14-2)8-13(16-17)11-5-4-6-15-9-11/h1,4-6,8-9,14H,7,10H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine?
N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine has a molecular weight of 226.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-ynyl-3-pyridin-3-ylpyrazol-5-yl)methanamine is sourced from PubChem (CID 121210871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).