5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine

C13H19N5 — CID 62220498

IUPAC5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H19N5/c1-4-6-11-16-12(10-8-15-17(3)9-10)13(14)18(11)7-5-2/h5,8-9H,2,4,6-7,14H2,1,3H3
InChIKeyOOKCVZUQTOKYMN-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.00
Rot. Bonds5

About 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 62220498) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID62220498
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cnn(C)c2)c1N
InChIInChI=1S/C13H19N5/c1-4-6-11-16-12(10-8-15-17(3)9-10)13(14)18(11)7-5-2/h5,8-9H,2,4,6-7,14H2,1,3H3
InChIKeyOOKCVZUQTOKYMN-UHFFFAOYSA-N
XLogP2.00
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.00
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

5-[1-(2-Methylpropyl)pyrazol-4-yl]imidazo[1,2-a]pyrazine
CID 49778452
1-[1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine
CID 46980559
1-[3-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propyl]piperidine
CID 46980564
1-methyl-3-(1-methyl-1H-imidazol-2-yl)-1H-pyrazol-5-amine
CID 13861132
2-(1-methyl-1H-pyrazol-4-yl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-amine hydrochloride
CID 132300972
4-(1H-imidazol-4-yl)-1-methyl-1H-pyrazole
CID 67500785
(1S)-1-(1-methylimidazol-2-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]butan-1-amine
CID 52387428
1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1'-isopropyl-1H,1'H-2,2'-biimidazole
CID 56867218
2-ethyl-4-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56871387
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 77081226
1-[1-[5-(1-Cyclohexylpyrazol-4-yl)imidazol-1-yl]propan-2-yl]piperidine;hydrochloride
CID 118741707
2-Methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]propan-2-amine;dihydrochloride
CID 178265745

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 62220498) is 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(-c2cnn(C)c2)c1N.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is OOKCVZUQTOKYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-6-11-16-12(10-8-15-17(3)9-10)13(14)18(11)7-5-2/h5,8-9H,2,4,6-7,14H2,1,3H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62220498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).