4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

C9H13N3 — CID 154946381

IUPAC4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C\c1[nH]nc(N)c1/C=C\C
InChIInChI=1S/C9H13N3/c1-3-5-7-8(6-4-2)11-12-9(7)10/h3-6H,1-2H3,(H3,10,11,12)/b5-3-,6-4-
InChIKeyGZFZXLUICQWHAL-GLIMQPGKSA-N
MW163.22 g/mol
LogP2.06
Rot. Bonds2

About 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine

4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (PubChem CID 154946381) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
PubChem CID154946381
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine
SMILESC/C=C\c1[nH]nc(N)c1/C=C\C
InChIInChI=1S/C9H13N3/c1-3-5-7-8(6-4-2)11-12-9(7)10/h3-6H,1-2H3,(H3,10,11,12)/b5-3-,6-4-
InChIKeyGZFZXLUICQWHAL-GLIMQPGKSA-N
XLogP2.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine (CID 154946381) is 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is C/C=C\c1[nH]nc(N)c1/C=C\C.
What is the InChIKey of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is GZFZXLUICQWHAL-GLIMQPGKSA-N. The full InChI is InChI=1S/C9H13N3/c1-3-5-7-8(6-4-2)11-12-9(7)10/h3-6H,1-2H3,(H3,10,11,12)/b5-3-,6-4-.
What are the key properties of 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine?
4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 163.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(Z)-prop-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 154946381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).