N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine

C10H17N3 — CID 97358836

IUPACN-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
SMILESC=CCC[C@@H](C)Nc1ccn(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-9(2)11-10-7-8-13(3)12-10/h4,7-9H,1,5-6H2,2-3H3,(H,11,12)/t9-/m1/s1
InChIKeyVNUURIJHBQUIMH-SECBINFHSA-N
MW179.27 g/mol
LogP2.19
Rot. Bonds5

About N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine

N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine (PubChem CID 97358836) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
PubChem CID97358836
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine
SMILESC=CCC[C@@H](C)Nc1ccn(C)n1
InChIInChI=1S/C10H17N3/c1-4-5-6-9(2)11-10-7-8-13(3)12-10/h4,7-9H,1,5-6H2,2-3H3,(H,11,12)/t9-/m1/s1
InChIKeyVNUURIJHBQUIMH-SECBINFHSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.19
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 N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine (CID 97358836) is N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine is C=CCC[C@@H](C)Nc1ccn(C)n1.
What is the InChIKey of N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine?
The InChIKey is VNUURIJHBQUIMH-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-5-6-9(2)11-10-7-8-13(3)12-10/h4,7-9H,1,5-6H2,2-3H3,(H,11,12)/t9-/m1/s1.
What are the key properties of N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine?
N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-hex-5-en-2-yl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 97358836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).