1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

C14H19ClN4 — CID 114927493

IUPAC1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CC)n(-c2cc(CNC)c(Cl)cn2)n1
InChIInChI=1S/C14H19ClN4/c1-4-11-7-12(5-2)19(18-11)14-6-10(8-16-3)13(15)9-17-14/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeySTXVOJCJSKLPFW-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.76
Rot. Bonds5

About 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114927493) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
PubChem CID114927493
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(CC)n(-c2cc(CNC)c(Cl)cn2)n1
InChIInChI=1S/C14H19ClN4/c1-4-11-7-12(5-2)19(18-11)14-6-10(8-16-3)13(15)9-17-14/h6-7,9,16H,4-5,8H2,1-3H3
InChIKeySTXVOJCJSKLPFW-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]-N-methylmethanamine
CID 82694748
N-[[5-(3,5-diethylpyrazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 107381268
1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 114924863
3,5-dichloro-2-(3,5-diethylpyrazol-1-yl)pyridine
CID 82698804
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927307
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
CID 114926345
1-[5-chloro-2-(4-phenylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114927449
4-(3,5-diethylpyrazol-1-yl)-6-propylpyrimidine
CID 82700133

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine (CID 114927493) is 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is CCc1cc(CC)n(-c2cc(CNC)c(Cl)cn2)n1.
What is the InChIKey of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is STXVOJCJSKLPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-4-11-7-12(5-2)19(18-11)14-6-10(8-16-3)13(15)9-17-14/h6-7,9,16H,4-5,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 278.79 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114927493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).