N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide

C14H21N5O2 — CID 71875513

IUPACN-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccn(CCCn2ccnc2)n1
InChIInChI=1S/C14H21N5O2/c1-12(2)21-10-14(20)16-13-4-8-19(17-13)7-3-6-18-9-5-15-11-18/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,16,17,20)
InChIKeyJPWQHXOWALDKCU-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.53
Rot. Bonds8

About N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide

N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide (PubChem CID 71875513) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide
PubChem CID71875513
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ccn(CCCn2ccnc2)n1
InChIInChI=1S/C14H21N5O2/c1-12(2)21-10-14(20)16-13-4-8-19(17-13)7-3-6-18-9-5-15-11-18/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,16,17,20)
InChIKeyJPWQHXOWALDKCU-UHFFFAOYSA-N
XLogP1.53
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide (CID 71875513) is N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ccn(CCCn2ccnc2)n1.
What is the InChIKey of N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide?
The InChIKey is JPWQHXOWALDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-12(2)21-10-14(20)16-13-4-8-19(17-13)7-3-6-18-9-5-15-11-18/h4-5,8-9,11-12H,3,6-7,10H2,1-2H3,(H,16,17,20).
What are the key properties of N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide?
N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide has a molecular weight of 291.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylpropyl)pyrazol-3-yl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 71875513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).