N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine

C15H22N4 — CID 79251471

IUPACN-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCCCNc1ccnc(Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C15H22N4/c1-5-7-16-14-6-8-17-15(9-14)10-19-13(4)11(2)12(3)18-19/h6,8-9H,5,7,10H2,1-4H3,(H,16,17)
InChIKeyRCNURELKQJGRSE-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.07
Rot. Bonds5

About N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine

N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine (PubChem CID 79251471) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
PubChem CID79251471
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
SMILESCCCNc1ccnc(Cn2nc(C)c(C)c2C)c1
InChIInChI=1S/C15H22N4/c1-5-7-16-14-6-8-17-15(9-14)10-19-13(4)11(2)12(3)18-19/h6,8-9H,5,7,10H2,1-4H3,(H,16,17)
InChIKeyRCNURELKQJGRSE-UHFFFAOYSA-N
XLogP3.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
5-bromo-6-methyl-3-[[4-(propylamino)-2-pyridinyl]methyl]pyrimidin-4-one
CID 79251061
4,5-dimethyl-2-[[4-(propylamino)-2-pyridinyl]methyl]-1H-pyridazine-3,6-dione
CID 79244748
1-[[4-(propylamino)-2-pyridinyl]methyl]-1,2,4-triazole-3-carbonitrile
CID 79250965
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-methyl-N-propylpyridin-4-amine
CID 79240818
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-propylpyridin-4-amine
CID 79244278
N-ethyl-2-[(5-methylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251899
N,N,N'-trimethyl-N'-[[4-(propylamino)-2-pyridinyl]methyl]ethane-1,2-diamine
CID 79250847
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79244943

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine (CID 79251471) is N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine is CCCNc1ccnc(Cn2nc(C)c(C)c2C)c1.
What is the InChIKey of N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is RCNURELKQJGRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-5-7-16-14-6-8-17-15(9-14)10-19-13(4)11(2)12(3)18-19/h6,8-9H,5,7,10H2,1-4H3,(H,16,17).
What are the key properties of N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine?
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 258.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79251471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).