2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine

C10H18N4 — CID 51619077

IUPAC2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
SMILESCn1cc([C@H]2CCCN2CCN)cn1
InChIInChI=1S/C10H18N4/c1-13-8-9(7-12-13)10-3-2-5-14(10)6-4-11/h7-8,10H,2-6,11H2,1H3/t10-/m1/s1
InChIKeyXEQRIROZXSYQJJ-SNVBAGLBSA-N
MW194.28 g/mol
LogP0.52
Rot. Bonds3

About 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine

2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 51619077) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
PubChem CID51619077
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
SMILESCn1cc([C@H]2CCCN2CCN)cn1
InChIInChI=1S/C10H18N4/c1-13-8-9(7-12-13)10-3-2-5-14(10)6-4-11/h7-8,10H,2-6,11H2,1H3/t10-/m1/s1
InChIKeyXEQRIROZXSYQJJ-SNVBAGLBSA-N
XLogP0.52
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine (CID 51619077) is 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine is Cn1cc([C@H]2CCCN2CCN)cn1.
What is the InChIKey of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is XEQRIROZXSYQJJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N4/c1-13-8-9(7-12-13)10-3-2-5-14(10)6-4-11/h7-8,10H,2-6,11H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine?
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 194.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 51619077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).