[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine

C9H16N4 — CID 63963290

IUPAC[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCn1nccc1N1CCC(CN)C1
InChIInChI=1S/C9H16N4/c1-12-9(2-4-11-12)13-5-3-8(6-10)7-13/h2,4,8H,3,5-7,10H2,1H3
InChIKeyGNVQYWTYAAPKNS-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.21
Rot. Bonds2

About [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine

[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine (PubChem CID 63963290) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine
PubChem CID63963290
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine
SMILESCn1nccc1N1CCC(CN)C1
InChIInChI=1S/C9H16N4/c1-12-9(2-4-11-12)13-5-3-8(6-10)7-13/h2,4,8H,3,5-7,10H2,1H3
InChIKeyGNVQYWTYAAPKNS-UHFFFAOYSA-N
XLogP0.21
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine (CID 63963290) is [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine is Cn1nccc1N1CCC(CN)C1.
What is the InChIKey of [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is GNVQYWTYAAPKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-9(2-4-11-12)13-5-3-8(6-10)7-13/h2,4,8H,3,5-7,10H2,1H3.
What are the key properties of [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine?
[1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpyrazol-3-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63963290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).