(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine

C9H16N4 — CID 66693955

IUPAC(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine
SMILESCCc1cnn([C@H]2CNCC2N)c1
InChIInChI=1S/C9H16N4/c1-2-7-3-12-13(6-7)9-5-11-4-8(9)10/h3,6,8-9,11H,2,4-5,10H2,1H3/t8?,9-/m0/s1
InChIKeyJKMCSDBMASFVQA-GKAPJAKFSA-N
MW180.25 g/mol
LogP-0.08
Rot. Bonds2

About (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine

(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine (PubChem CID 66693955) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine
PubChem CID66693955
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine
SMILESCCc1cnn([C@H]2CNCC2N)c1
InChIInChI=1S/C9H16N4/c1-2-7-3-12-13(6-7)9-5-11-4-8(9)10/h3,6,8-9,11H,2,4-5,10H2,1H3/t8?,9-/m0/s1
InChIKeyJKMCSDBMASFVQA-GKAPJAKFSA-N
XLogP-0.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine?
The IUPAC name of (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine (CID 66693955) is (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine?
The canonical SMILES for (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine is CCc1cnn([C@H]2CNCC2N)c1.
What is the InChIKey of (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine?
The InChIKey is JKMCSDBMASFVQA-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-7-3-12-13(6-7)9-5-11-4-8(9)10/h3,6,8-9,11H,2,4-5,10H2,1H3/t8?,9-/m0/s1.
What are the key properties of (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine?
(4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine has a molecular weight of 180.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-ethylpyrazol-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 66693955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).