2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine

C15H21N5 — CID 103572897

IUPAC2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cnn(CCC)c2)c1N
InChIInChI=1S/C15H21N5/c1-4-7-13-18-14(15(16)20(13)9-6-3)12-10-17-19(11-12)8-5-2/h3,10-11H,4-5,7-9,16H2,1-2H3
InChIKeyJSMNDNBLCZTURN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.32
Rot. Bonds6

About 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine

2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine (PubChem CID 103572897) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine.

Molecular Properties

Compound Name2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
PubChem CID103572897
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine
SMILESC#CCn1c(CCC)nc(-c2cnn(CCC)c2)c1N
InChIInChI=1S/C15H21N5/c1-4-7-13-18-14(15(16)20(13)9-6-3)12-10-17-19(11-12)8-5-2/h3,10-11H,4-5,7-9,16H2,1-2H3
InChIKeyJSMNDNBLCZTURN-UHFFFAOYSA-N
XLogP2.32
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 103570393
5-(2-chlorophenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 55048312
5-(3-cyclopropylphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 79971882
5-(1-methylpyrazol-4-yl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 62220498
3-methyl-5-(1-methylpyrazol-4-yl)-2-propylimidazol-4-amine
CID 62219046
5-(3-cyclopropylimidazol-4-yl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 66162116
2-tert-butyl-4-(1-propylpyrazol-4-yl)imidazole-1,5-diamine
CID 103572934
5-(3,5-dichlorophenyl)-2-ethyl-3-prop-2-ynylimidazol-4-amine
CID 62219042
5-(1-ethylpyrazol-4-yl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 103570396
5-(5-bromo-2-methoxyphenyl)-2-propyl-3-prop-2-ynylimidazol-4-amine
CID 62221059
6-chloro-2-(1-propylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 103573153
2,3-dipropyl-5-(3,4,5-trifluorophenyl)imidazol-4-amine
CID 63050525

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The IUPAC name of 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine (CID 103572897) is 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine.
What is the SMILES notation for 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The canonical SMILES for 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine is C#CCn1c(CCC)nc(-c2cnn(CCC)c2)c1N.
What is the InChIKey of 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
The InChIKey is JSMNDNBLCZTURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-7-13-18-14(15(16)20(13)9-6-3)12-10-17-19(11-12)8-5-2/h3,10-11H,4-5,7-9,16H2,1-2H3.
What are the key properties of 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine?
2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine has a molecular weight of 271.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(1-propylpyrazol-4-yl)-3-prop-2-ynylimidazol-4-amine is sourced from PubChem (CID 103572897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).