N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide

C13H19N5O — CID 112688400

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCn2ccnc2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-13(2,3)10-8-11(17-16-10)15-12(19)4-6-18-7-5-14-9-18/h5,7-9H,4,6H2,1-3H3,(H2,15,16,17,19)
InChIKeyQIVGIRNLUAXIKU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.93
Rot. Bonds4

About N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide (PubChem CID 112688400) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
PubChem CID112688400
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCn2ccnc2)n[nH]1
InChIInChI=1S/C13H19N5O/c1-13(2,3)10-8-11(17-16-10)15-12(19)4-6-18-7-5-14-9-18/h5,7-9H,4,6H2,1-3H3,(H2,15,16,17,19)
InChIKeyQIVGIRNLUAXIKU-UHFFFAOYSA-N
XLogP1.93
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)hexanamide
CID 47343717
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CID 115627274
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-propoxypropanamide
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3-imidazol-1-yl-N-(5-iodo-2-pyridinyl)propanamide
CID 65098547
N-(4-hydroxyphenyl)-3-imidazol-1-ylpropanamide
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N-(3-chloropyrazin-2-yl)-3-imidazol-1-ylpropanamide
CID 102989504
3-(3-imidazol-1-ylpropanoylamino)-2,2-dimethylpropanoic acid
CID 115427121
N-(6-bromo-3-pyridinyl)-3-imidazol-1-ylpropanamide
CID 103789490
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-fluorophenoxy)acetamide
CID 115589865
N-(2,3-dihydroxy-2-methylpropyl)-3-imidazol-1-ylpropanamide
CID 66171307
3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 115589940

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide (CID 112688400) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide is CC(C)(C)c1cc(NC(=O)CCn2ccnc2)n[nH]1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide?
The InChIKey is QIVGIRNLUAXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,3)10-8-11(17-16-10)15-12(19)4-6-18-7-5-14-9-18/h5,7-9H,4,6H2,1-3H3,(H2,15,16,17,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide has a molecular weight of 261.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 112688400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).