N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine

C11H17N3 — CID 126677685

IUPACN-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine
SMILESC=CCCN(CC(=C)C)c1ccn[nH]1
InChIInChI=1S/C11H17N3/c1-4-5-8-14(9-10(2)3)11-6-7-12-13-11/h4,6-7H,1-2,5,8-9H2,3H3,(H,12,13)
InChIKeyHHMHHZBECMFUCR-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.37
Rot. Bonds6

About N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine

N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine (PubChem CID 126677685) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine
PubChem CID126677685
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine
SMILESC=CCCN(CC(=C)C)c1ccn[nH]1
InChIInChI=1S/C11H17N3/c1-4-5-8-14(9-10(2)3)11-6-7-12-13-11/h4,6-7H,1-2,5,8-9H2,3H3,(H,12,13)
InChIKeyHHMHHZBECMFUCR-UHFFFAOYSA-N
XLogP2.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine?
The IUPAC name of N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine (CID 126677685) is N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine is C=CCCN(CC(=C)C)c1ccn[nH]1.
What is the InChIKey of N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine?
The InChIKey is HHMHHZBECMFUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-5-8-14(9-10(2)3)11-6-7-12-13-11/h4,6-7H,1-2,5,8-9H2,3H3,(H,12,13).
What are the key properties of N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine?
N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine has a molecular weight of 191.28 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-(2-methylprop-2-enyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 126677685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).