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

C13H18N4 — CID 112651057

IUPAC[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
SMILESCc1cccnc1Cn1nc(C)c(CN)c1C
InChIInChI=1S/C13H18N4/c1-9-5-4-6-15-13(9)8-17-11(3)12(7-14)10(2)16-17/h4-6H,7-8,14H2,1-3H3
InChIKeyXDDFJERMOVVMOV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.71
Rot. Bonds3

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

[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 112651057) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
PubChem CID112651057
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
SMILESCc1cccnc1Cn1nc(C)c(CN)c1C
InChIInChI=1S/C13H18N4/c1-9-5-4-6-15-13(9)8-17-11(3)12(7-14)10(2)16-17/h4-6H,7-8,14H2,1-3H3
InChIKeyXDDFJERMOVVMOV-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 115982259
N-[[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 115982265
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62736781
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
[3-[(3-methyl-2-pyridinyl)methyl]imidazol-4-yl]methanamine
CID 66150154
3,5-diethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 112650329
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
3-methyl-2-(pyrrol-1-ylmethyl)pyridine
CID 63306746
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridine-3-carbonitrile
CID 126561155
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine (CID 112651057) is [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine is Cc1cccnc1Cn1nc(C)c(CN)c1C.
What is the InChIKey of [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is XDDFJERMOVVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-5-4-6-15-13(9)8-17-11(3)12(7-14)10(2)16-17/h4-6H,7-8,14H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 112651057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).