1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C14H19ClN4 — CID 103030450

IUPAC1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1ccncc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-17-14(12-7-8-16-10-13(12)15)5-4-11-6-9-18-19(11)2/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRCBMWKFMOWCFLG-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.75
Rot. Bonds6

About 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030450) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030450
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)c1ccncc1Cl
InChIInChI=1S/C14H19ClN4/c1-3-17-14(12-7-8-16-10-13(12)15)5-4-11-6-9-18-19(11)2/h6-10,14,17H,3-5H2,1-2H3
InChIKeyRCBMWKFMOWCFLG-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(2-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103128451
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068
N-ethyl-1-(2-fluoro-4-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030390
N-ethyl-1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009870
1-(3-chloro-4-pyridinyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031354
1-(3-methoxy-4-pyridinyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030781
1-(3-chloro-4-pyridinyl)-N-ethylbut-3-yn-1-amine
CID 105077416
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105175018
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
3-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104695941
1-(3-chloro-4-pyridinyl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201768
N-ethyl-1-(5-iodothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030990

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030450) is 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is RCBMWKFMOWCFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-3-17-14(12-7-8-16-10-13(12)15)5-4-11-6-9-18-19(11)2/h6-10,14,17H,3-5H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 278.79 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).