N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine

C10H13N3 — CID 126714011

IUPACN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine
SMILESC=C/C(=C\C=C/C)Nc1ccn[nH]1
InChIInChI=1S/C10H13N3/c1-3-5-6-9(4-2)12-10-7-8-11-13-10/h3-8H,2H2,1H3,(H2,11,12,13)/b5-3-,9-6+
InChIKeyCSWLAJGBLUENKS-PAEKIZANSA-N
MW175.23 g/mol
LogP2.47
Rot. Bonds4

About N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine

N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine (PubChem CID 126714011) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine
PubChem CID126714011
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC NameN-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine
SMILESC=C/C(=C\C=C/C)Nc1ccn[nH]1
InChIInChI=1S/C10H13N3/c1-3-5-6-9(4-2)12-10-7-8-11-13-10/h3-8H,2H2,1H3,(H2,11,12,13)/b5-3-,9-6+
InChIKeyCSWLAJGBLUENKS-PAEKIZANSA-N
XLogP2.47
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine?
The IUPAC name of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine (CID 126714011) is N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine.
What is the SMILES notation for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine?
The canonical SMILES for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine is C=C/C(=C\C=C/C)Nc1ccn[nH]1.
What is the InChIKey of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine?
The InChIKey is CSWLAJGBLUENKS-PAEKIZANSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-5-6-9(4-2)12-10-7-8-11-13-10/h3-8H,2H2,1H3,(H2,11,12,13)/b5-3-,9-6+.
What are the key properties of N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine?
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine has a molecular weight of 175.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1H-pyrazol-5-amine is sourced from PubChem (CID 126714011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).