ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

C11H23N3 — CID 145001403

IUPACethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C\c1c(N)n[nH]c1C.CC.CC
InChIInChI=1S/C7H11N3.2C2H6/c1-3-4-6-5(2)9-10-7(6)8;2*1-2/h3-4H,1-2H3,(H3,8,9,10);2*1-2H3/b4-3-;;
InChIKeyZMGOZFMOUOMNHJ-GSBNXNDCSA-N
MW197.33 g/mol
LogP3.39
Rot. Bonds1

About ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 145001403) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID145001403
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Nameethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C\c1c(N)n[nH]c1C.CC.CC
InChIInChI=1S/C7H11N3.2C2H6/c1-3-4-6-5(2)9-10-7(6)8;2*1-2/h3-4H,1-2H3,(H3,8,9,10);2*1-2H3/b4-3-;;
InChIKeyZMGOZFMOUOMNHJ-GSBNXNDCSA-N
XLogP3.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (CID 145001403) is ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is C/C=C\c1c(N)n[nH]c1C.CC.CC.
What is the InChIKey of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is ZMGOZFMOUOMNHJ-GSBNXNDCSA-N. The full InChI is InChI=1S/C7H11N3.2C2H6/c1-3-4-6-5(2)9-10-7(6)8;2*1-2/h3-4H,1-2H3,(H3,8,9,10);2*1-2H3/b4-3-;;.
What are the key properties of ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 197.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 145001403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).