4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine

C9H11N5 — CID 130964491

IUPAC4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2cncnc2)c1N
InChIInChI=1S/C9H11N5/c1-7-2-13-14(9(7)10)5-8-3-11-6-12-4-8/h2-4,6H,5,10H2,1H3
InChIKeyCYZALYYYQLGISK-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.61
Rot. Bonds2

About 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine

4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine (PubChem CID 130964491) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine
PubChem CID130964491
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine
SMILESCc1cnn(Cc2cncnc2)c1N
InChIInChI=1S/C9H11N5/c1-7-2-13-14(9(7)10)5-8-3-11-6-12-4-8/h2-4,6H,5,10H2,1H3
InChIKeyCYZALYYYQLGISK-UHFFFAOYSA-N
XLogP0.61
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
CID 29060877
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 114936958
4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 103347745
1-(1-benzofuran-3-ylmethyl)-4-methylpyrazol-5-amine
CID 80703408
5-methyl-1-(pyridin-3-ylmethyl)pyrazol-4-amine
CID 118365737
4-methyl-1-[(1-methylsulfanylcyclobutyl)methyl]pyrazol-5-amine
CID 130506267
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090
5-amino-2-[(5-methyl-3-pyridinyl)methyl]pyridazin-3-one
CID 103218315
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine?
The IUPAC name of 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine (CID 130964491) is 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine is Cc1cnn(Cc2cncnc2)c1N.
What is the InChIKey of 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine?
The InChIKey is CYZALYYYQLGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-7-2-13-14(9(7)10)5-8-3-11-6-12-4-8/h2-4,6H,5,10H2,1H3.
What are the key properties of 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine?
4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine has a molecular weight of 189.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 130964491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).