N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide

C13H18N6O — CID 174370599

IUPACN-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cn(C(C)C)nc1-c1nc(N)c(C)[nH]1
InChIInChI=1S/C13H18N6O/c1-5-10(20)16-9-6-19(7(2)3)18-11(9)13-15-8(4)12(14)17-13/h5-7H,1,14H2,2-4H3,(H,15,17)(H,16,20)
InChIKeyVHPGDVHDYKTKSP-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.87
Rot. Bonds4

About N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide

N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide (PubChem CID 174370599) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide
PubChem CID174370599
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cn(C(C)C)nc1-c1nc(N)c(C)[nH]1
InChIInChI=1S/C13H18N6O/c1-5-10(20)16-9-6-19(7(2)3)18-11(9)13-15-8(4)12(14)17-13/h5-7H,1,14H2,2-4H3,(H,15,17)(H,16,20)
InChIKeyVHPGDVHDYKTKSP-UHFFFAOYSA-N
XLogP1.87
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-amino-5-[(E)-pent-2-enyl]-1H-imidazol-2-yl]-1-propan-2-ylpyrazol-4-yl]but-2-ynamide;ethane
CID 171803472
N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 166419383
N-(3-methyl-2-propan-2-ylphenyl)prop-2-enamide
CID 177272489
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
N-(4,6-diamino-1,3,5-triazin-2-yl)prop-2-enamide
CID 22235146
N-(2-aminophenyl)prop-2-enamide;ethane;molecular hydrogen
CID 145298068
5-methyl-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-imidazole-4-carboxamide
CID 134705328
ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 144607430
N-[2-(5-methylthiophen-2-yl)phenyl]prop-2-enamide
CID 166408370
CID 156709466
CID 156709466
N-[2-[(6-aminopyrimidin-4-yl)amino]-3-methylphenyl]prop-2-enamide
CID 118029225

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide (CID 174370599) is N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cn(C(C)C)nc1-c1nc(N)c(C)[nH]1.
What is the InChIKey of N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide?
The InChIKey is VHPGDVHDYKTKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-5-10(20)16-9-6-19(7(2)3)18-11(9)13-15-8(4)12(14)17-13/h5-7H,1,14H2,2-4H3,(H,15,17)(H,16,20).
What are the key properties of N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide?
N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide has a molecular weight of 274.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-5-methyl-1H-imidazol-2-yl)-1-propan-2-ylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 174370599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).