N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C15H22N4 — CID 82740765

IUPACN-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ncccc1CC
InChIInChI=1S/C15H22N4/c1-4-8-16-15(13-10-18-19(3)11-13)14-12(5-2)7-6-9-17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyPUVIAUPBGTUFEF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.47
Rot. Bonds6

About N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 82740765) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID82740765
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1ncccc1CC
InChIInChI=1S/C15H22N4/c1-4-8-16-15(13-10-18-19(3)11-13)14-12(5-2)7-6-9-17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3
InChIKeyPUVIAUPBGTUFEF-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 82741174
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 114660062
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(2,3-difluorophenyl)-(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82733064
N-[1-(3-ethyl-2-pyridinyl)-2-(1-methyltriazol-4-yl)ethyl]propan-1-amine
CID 107050759
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
1-(3-ethyl-2-pyridinyl)-2-methyl-N-propylpentan-1-amine
CID 114013829
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 82740765) is N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)c1ncccc1CC.
What is the InChIKey of N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is PUVIAUPBGTUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-8-16-15(13-10-18-19(3)11-13)14-12(5-2)7-6-9-17-14/h6-7,9-11,15-16H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82740765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).