2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

C10H13N5 — CID 102923732

IUPAC2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1ccc(CC(N)c2cncnc2)n1
InChIInChI=1S/C10H13N5/c1-15-3-2-9(14-15)4-10(11)8-5-12-7-13-6-8/h2-3,5-7,10H,4,11H2,1H3
InChIKeyWLNMSCWBTRBUDA-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.45
Rot. Bonds3

About 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine

2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923732) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923732
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
SMILESCn1ccc(CC(N)c2cncnc2)n1
InChIInChI=1S/C10H13N5/c1-15-3-2-9(14-15)4-10(11)8-5-12-7-13-6-8/h2-3,5-7,10H,4,11H2,1H3
InChIKeyWLNMSCWBTRBUDA-UHFFFAOYSA-N
XLogP0.45
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924279
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923492
2-(1-methylpyrazol-3-yl)-1-(1,3-thiazol-5-yl)ethanamine
CID 82878134
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-methylpyrazol-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105175038
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
1-(5-chloro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876697
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025301
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
4-methyl-3-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82868697
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753
1-methoxy-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876471

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine (CID 102923732) is 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine is Cn1ccc(CC(N)c2cncnc2)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is WLNMSCWBTRBUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-3-2-9(14-15)4-10(11)8-5-12-7-13-6-8/h2-3,5-7,10H,4,11H2,1H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine?
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 203.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).