N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine

C15H22N4 — CID 102803943

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cn(C)nc1C
InChIInChI=1S/C15H22N4/c1-4-8-17-15(10-13-7-5-6-9-16-13)14-11-19(3)18-12(14)2/h5-7,9,11,15,17H,4,8,10H2,1-3H3
InChIKeyKGRZNRXBUBSXSS-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.41
Rot. Bonds6

About N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (PubChem CID 102803943) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
PubChem CID102803943
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccn1)c1cn(C)nc1C
InChIInChI=1S/C15H22N4/c1-4-8-17-15(10-13-7-5-6-9-16-13)14-11-19(3)18-12(14)2/h5-7,9,11,15,17H,4,8,10H2,1-3H3
InChIKeyKGRZNRXBUBSXSS-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-ethyl-1-methylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102812507
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-2-pyridin-2-ylethanamine
CID 102803941
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102804658
1-(1,3-dimethylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 65192001
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
N-[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803334
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[1-(2-methoxy-3-pyridinyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 105158151
N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 114687156
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
N-[1-(3,4-dimethylphenyl)-2-pyridin-2-ylethyl]propan-1-amine
CID 62550641

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine (CID 102803943) is N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is CCCNC(Cc1ccccn1)c1cn(C)nc1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
The InChIKey is KGRZNRXBUBSXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-8-17-15(10-13-7-5-6-9-16-13)14-11-19(3)18-12(14)2/h5-7,9,11,15,17H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine is sourced from PubChem (CID 102803943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).