1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine

C11H15N5 — CID 106583191

IUPAC1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
SMILESC=CCn1ccnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H15N5/c1-4-6-16-7-5-12-11(16)13-10-8-15(3)14-9(10)2/h4-5,7-8H,1,6H2,2-3H3,(H,12,13)
InChIKeyNITQUFZDWIPFDR-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.85
Rot. Bonds4

About 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine

1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine (PubChem CID 106583191) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
PubChem CID106583191
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine
SMILESC=CCn1ccnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H15N5/c1-4-6-16-7-5-12-11(16)13-10-8-15(3)14-9(10)2/h4-5,7-8H,1,6H2,2-3H3,(H,12,13)
InChIKeyNITQUFZDWIPFDR-UHFFFAOYSA-N
XLogP1.85
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-N-(1-methylimidazol-2-yl)pyrazol-4-amine
CID 102806061
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738
N-(4-bromo-2,3-dichlorophenyl)-1-prop-2-enylimidazol-2-amine
CID 114002343
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-(2,6-dibromophenyl)-1-prop-2-enylimidazol-2-amine
CID 107605118
N-[4-[(1-prop-2-enylimidazol-2-yl)amino]phenyl]acetamide
CID 106554496
N-(1,3-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 102806017
N-(3-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554216
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 102807839
N-(2-methylpentan-3-yl)-1-prop-2-enylimidazol-2-amine
CID 106564882
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-prop-2-enylimidazol-2-amine
CID 106583084

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine (CID 106583191) is 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine is C=CCn1ccnc1Nc1cn(C)nc1C.
What is the InChIKey of 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine?
The InChIKey is NITQUFZDWIPFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-6-16-7-5-12-11(16)13-10-8-15(3)14-9(10)2/h4-5,7-8H,1,6H2,2-3H3,(H,12,13).
What are the key properties of 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine?
1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-prop-2-enylimidazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 106583191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).