N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide

C12H21N3O2 — CID 56788503

IUPACN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide
SMILESCCc1cc(CNC(=O)CCOC(C)C)[nH]n1
InChIInChI=1S/C12H21N3O2/c1-4-10-7-11(15-14-10)8-13-12(16)5-6-17-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyAEPPIUKMTQXZSY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.40
Rot. Bonds7

About N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide

N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide (PubChem CID 56788503) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide.

Molecular Properties

Compound NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide
PubChem CID56788503
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide
SMILESCCc1cc(CNC(=O)CCOC(C)C)[nH]n1
InChIInChI=1S/C12H21N3O2/c1-4-10-7-11(15-14-10)8-13-12(16)5-6-17-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyAEPPIUKMTQXZSY-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide?
The IUPAC name of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide (CID 56788503) is N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide.
What is the SMILES notation for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide?
The canonical SMILES for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide is CCc1cc(CNC(=O)CCOC(C)C)[nH]n1.
What is the InChIKey of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide?
The InChIKey is AEPPIUKMTQXZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10-7-11(15-14-10)8-13-12(16)5-6-17-9(2)3/h7,9H,4-6,8H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide?
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide has a molecular weight of 239.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide is sourced from PubChem (CID 56788503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).