(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine

C10H15N3 — CID 97178783

IUPAC(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc([C@@H](N)C2CC2)cn1
InChIInChI=1S/C10H15N3/c1-2-5-13-7-9(6-12-13)10(11)8-3-4-8/h2,6-8,10H,1,3-5,11H2/t10-/m0/s1
InChIKeyWZYZTLJPCOLRHT-JTQLQIEISA-N
MW177.25 g/mol
LogP1.48
Rot. Bonds4

About (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine

(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine (PubChem CID 97178783) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine
PubChem CID97178783
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine
SMILESC=CCn1cc([C@@H](N)C2CC2)cn1
InChIInChI=1S/C10H15N3/c1-2-5-13-7-9(6-12-13)10(11)8-3-4-8/h2,6-8,10H,1,3-5,11H2/t10-/m0/s1
InChIKeyWZYZTLJPCOLRHT-JTQLQIEISA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine?
The IUPAC name of (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine (CID 97178783) is (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine is C=CCn1cc([C@@H](N)C2CC2)cn1.
What is the InChIKey of (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine?
The InChIKey is WZYZTLJPCOLRHT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N3/c1-2-5-13-7-9(6-12-13)10(11)8-3-4-8/h2,6-8,10H,1,3-5,11H2/t10-/m0/s1.
What are the key properties of (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine?
(S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(1-prop-2-enylpyrazol-4-yl)methanamine is sourced from PubChem (CID 97178783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).