3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

C12H16N4 — CID 115757903

IUPAC3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCc1cccnc1NCc1ccn(C)n1
InChIInChI=1S/C12H16N4/c1-3-10-5-4-7-13-12(10)14-9-11-6-8-16(2)15-11/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyAGQURLNFXNEPSQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.99
Rot. Bonds4

About 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine

3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (PubChem CID 115757903) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
PubChem CID115757903
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
SMILESCCc1cccnc1NCc1ccn(C)n1
InChIInChI=1S/C12H16N4/c1-3-10-5-4-7-13-12(10)14-9-11-6-8-16(2)15-11/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyAGQURLNFXNEPSQ-UHFFFAOYSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carboxylate
CID 82874044
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82875234
3-bromo-4-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine
CID 106875865
3-[(1-methylpyrazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 82872539
3-[(1-methylpyrazol-3-yl)methylamino]pyrazine-2-carbothioamide
CID 82874016
5-ethyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82875067
6-N-ethyl-5-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 82874582
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860
6-N-[(1-methylpyrazol-3-yl)methyl]quinoline-5,6-diamine
CID 82881645
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
4-N-[(1-methylpyrazol-3-yl)methyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 82873155

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine (CID 115757903) is 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is CCc1cccnc1NCc1ccn(C)n1.
What is the InChIKey of 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
The InChIKey is AGQURLNFXNEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-10-5-4-7-13-12(10)14-9-11-6-8-16(2)15-11/h4-8H,3,9H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine?
3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115757903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).