[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine

C11H15N5 — CID 62697887

IUPAC[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ncccn2)c(C)c1CN
InChIInChI=1S/C11H15N5/c1-8-10(6-12)9(2)16(15-8)7-11-13-4-3-5-14-11/h3-5H,6-7,12H2,1-2H3
InChIKeyXQYNDFRYIDZVAW-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.80
Rot. Bonds3

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

[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine (PubChem CID 62697887) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
PubChem CID62697887
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ncccn2)c(C)c1CN
InChIInChI=1S/C11H15N5/c1-8-10(6-12)9(2)16(15-8)7-11-13-4-3-5-14-11/h3-5H,6-7,12H2,1-2H3
InChIKeyXQYNDFRYIDZVAW-UHFFFAOYSA-N
XLogP0.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62736781
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
CID 64773488
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647583
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 61238142
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 43647536
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62728744
2-[2-[4-(chloromethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridine
CID 60893202

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine (CID 62697887) is [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine is Cc1nn(Cc2ncccn2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine?
The InChIKey is XQYNDFRYIDZVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-8-10(6-12)9(2)16(15-8)7-11-13-4-3-5-14-11/h3-5H,6-7,12H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 62697887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).