N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine

C13H18N4 — CID 43776909

IUPACN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
SMILESCc1cc(C)c(C(C)Nc2cn[nH]c2)c(C)n1
InChIInChI=1S/C13H18N4/c1-8-5-9(2)16-10(3)13(8)11(4)17-12-6-14-15-7-12/h5-7,11,17H,1-4H3,(H,14,15)
InChIKeySZHPKRCPEQNGFH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.90
Rot. Bonds3

About N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine

N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine (PubChem CID 43776909) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
PubChem CID43776909
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine
SMILESCc1cc(C)c(C(C)Nc2cn[nH]c2)c(C)n1
InChIInChI=1S/C13H18N4/c1-8-5-9(2)16-10(3)13(8)11(4)17-12-6-14-15-7-12/h5-7,11,17H,1-4H3,(H,14,15)
InChIKeySZHPKRCPEQNGFH-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

GW-6604
CID 9861063
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
3-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9877457
5-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9942221
4-methyl-2-(1H-1,2,3-triazol-5-yl)pyridine
CID 9964177
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
3-Methyl-5-(Pyridin-3-Yl)-2h-Pyrazolo[3,4-C]pyridine
CID 71254055
1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine
CID 71710904
(1S,3R)-N-((1-ethyl-5-(5-fluoro-6-methylpyridin-3-yl)-4-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270907
(1S,3R)-3-fluoro-N-((5-(5-fluoro-6-methylpyridin-3-yl)-1-isopropyl-4-methyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45273531
5-methyl-N-(2-methylpropyl)-3-phenyl-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 20040888
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine (CID 43776909) is N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine is Cc1cc(C)c(C(C)Nc2cn[nH]c2)c(C)n1.
What is the InChIKey of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine?
The InChIKey is SZHPKRCPEQNGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8-5-9(2)16-10(3)13(8)11(4)17-12-6-14-15-7-12/h5-7,11,17H,1-4H3,(H,14,15).
What are the key properties of N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine?
N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43776909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).