(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine

C11H13N5 — CID 153344024

IUPAC(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C/C=C\c1ncc(Cn2cc(C)cn2)[nH]1
InChIInChI=1S/C11H13N5/c1-9-5-14-16(7-9)8-10-6-13-11(15-10)3-2-4-12/h2-7,12H,8H2,1H3,(H,13,15)/b3-2-,12-4+
InChIKeyOUUWKXRVWBWGKU-UMCGIRHUSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds4

About (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine

(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine (PubChem CID 153344024) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine
PubChem CID153344024
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine
SMILES[H]/N=C/C=C\c1ncc(Cn2cc(C)cn2)[nH]1
InChIInChI=1S/C11H13N5/c1-9-5-14-16(7-9)8-10-6-13-11(15-10)3-2-4-12/h2-7,12H,8H2,1H3,(H,13,15)/b3-2-,12-4+
InChIKeyOUUWKXRVWBWGKU-UMCGIRHUSA-N
XLogP1.63
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine?
The IUPAC name of (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine (CID 153344024) is (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine?
The canonical SMILES for (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine is [H]/N=C/C=C\c1ncc(Cn2cc(C)cn2)[nH]1.
What is the InChIKey of (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine?
The InChIKey is OUUWKXRVWBWGKU-UMCGIRHUSA-N. The full InChI is InChI=1S/C11H13N5/c1-9-5-14-16(7-9)8-10-6-13-11(15-10)3-2-4-12/h2-7,12H,8H2,1H3,(H,13,15)/b3-2-,12-4+.
What are the key properties of (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine?
(Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine has a molecular weight of 215.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(4-methylpyrazol-1-yl)methyl]-1H-imidazol-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 153344024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).