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

C14H20N4 — CID 62551417

IUPACN-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-3-6-16-14(13-10-17-18(2)11-13)9-12-4-7-15-8-5-12/h4-5,7-8,10-11,14,16H,3,6,9H2,1-2H3
InChIKeyLSOFDMPXYYYURA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.10
Rot. Bonds6

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

N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 62551417) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID62551417
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)c1cnn(C)c1
InChIInChI=1S/C14H20N4/c1-3-6-16-14(13-10-17-18(2)11-13)9-12-4-7-15-8-5-12/h4-5,7-8,10-11,14,16H,3,6,9H2,1-2H3
InChIKeyLSOFDMPXYYYURA-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-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[2-(1-methylpyrazol-4-yl)-1-(4-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 114878627
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[1-(6-methyl-3-pyridinyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63155526
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
N-[2-(1-methylpyrazol-4-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105113854
4,4-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylpentan-1-amine
CID 65200553

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 62551417) is N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is LSOFDMPXYYYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-6-16-14(13-10-17-18(2)11-13)9-12-4-7-15-8-5-12/h4-5,7-8,10-11,14,16H,3,6,9H2,1-2H3.
What are the key properties of N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 62551417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).