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

C14H20N4 — CID 63960985

IUPACN-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccnn1C
InChIInChI=1S/C14H20N4/c1-3-7-16-13(14-6-10-17-18(14)2)11-12-4-8-15-9-5-12/h4-6,8-10,13,16H,3,7,11H2,1-2H3
InChIKeyWEYJCZQVBKYBBP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds6

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

N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 63960985) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID63960985
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1ccnn1C
InChIInChI=1S/C14H20N4/c1-3-7-16-13(14-6-10-17-18(14)2)11-12-4-8-15-9-5-12/h4-6,8-10,13,16H,3,7,11H2,1-2H3
InChIKeyWEYJCZQVBKYBBP-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-ethyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974908
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 63960985) is N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is WEYJCZQVBKYBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-7-16-13(14-6-10-17-18(14)2)11-12-4-8-15-9-5-12/h4-6,8-10,13,16H,3,7,11H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 63960985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).