N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine

C14H20N4 — CID 61272711

IUPACN-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(-c2ccncc2)c1C
InChIInChI=1S/C14H20N4/c1-4-7-16-10-14-11(2)17-18(12(14)3)13-5-8-15-9-6-13/h5-6,8-9,16H,4,7,10H2,1-3H3
InChIKeyVESZWTHKRGTRAK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.38
Rot. Bonds5

About N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine

N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 61272711) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID61272711
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(-c2ccncc2)c1C
InChIInChI=1S/C14H20N4/c1-4-7-16-10-14-11(2)17-18(12(14)3)13-5-8-15-9-6-13/h5-6,8-9,16H,4,7,10H2,1-3H3
InChIKeyVESZWTHKRGTRAK-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]hexan-1-amine
CID 43406597
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 43406566
N-[[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61271722
N-[[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 84760401
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
N-[[3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 84760417
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]pentan-1-ol
CID 107303026
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 115639387
N-[[4-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 81253654
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 103605624
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64571084
1-N-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 154741292

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine (CID 61272711) is N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine is CCCNCc1c(C)nn(-c2ccncc2)c1C.
What is the InChIKey of N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is VESZWTHKRGTRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-7-16-10-14-11(2)17-18(12(14)3)13-5-8-15-9-6-13/h5-6,8-9,16H,4,7,10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 61272711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).