N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine

C16H24N4 — CID 115982259

IUPACN-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1cccnc1Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H24N4/c1-11(2)18-9-15-13(4)19-20(14(15)5)10-16-12(3)7-6-8-17-16/h6-8,11,18H,9-10H2,1-5H3
InChIKeyIVBYFCHMHPFGGW-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.75
Rot. Bonds5

About N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 115982259) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID115982259
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1cccnc1Cn1nc(C)c(CNC(C)C)c1C
InChIInChI=1S/C16H24N4/c1-11(2)18-9-15-13(4)19-20(14(15)5)10-16-12(3)7-6-8-17-16/h6-8,11,18H,9-10H2,1-5H3
InChIKeyIVBYFCHMHPFGGW-UHFFFAOYSA-N
XLogP2.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 115982265
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 43648011
N-[[1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647937
N-[[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 115983311
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43647958
N-[[3,5-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 102877955
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 114851493
N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
N-[[3,5-dimethyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 43648009
N-[[1-[(5-bromo-3-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 104801141
2-[3,5-dimethyl-4-[[(3-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905689

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 115982259) is N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1cccnc1Cn1nc(C)c(CNC(C)C)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is IVBYFCHMHPFGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-11(2)18-9-15-13(4)19-20(14(15)5)10-16-12(3)7-6-8-17-16/h6-8,11,18H,9-10H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 272.40 g/mol, XLogP of 2.75, 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-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 115982259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).