N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide

C10H16IN3O2 — CID 126832712

IUPACN-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1[nH]ncc1I
InChIInChI=1S/C10H16IN3O2/c1-2-3-4-5-16-7-9(15)13-10-8(11)6-12-14-10/h6H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyXWGQCMKFWHFZOZ-UHFFFAOYSA-N
MW337.16 g/mol
LogP2.16
Rot. Bonds7

About N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide

N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide (PubChem CID 126832712) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide.

Molecular Properties

Compound NameN-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide
PubChem CID126832712
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC NameN-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide
SMILESCCCCCOCC(=O)Nc1[nH]ncc1I
InChIInChI=1S/C10H16IN3O2/c1-2-3-4-5-16-7-9(15)13-10-8(11)6-12-14-10/h6H,2-5,7H2,1H3,(H2,12,13,14,15)
InChIKeyXWGQCMKFWHFZOZ-UHFFFAOYSA-N
XLogP2.16
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 115629929
N-(4-iodo-1H-pyrazol-5-yl)acetamide
CID 86717260
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
2-butoxy-N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)acetamide
CID 3836267
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
2-decoxy-N-sulfanylacetamide
CID 150404301
2-pentoxy-N-[2-(2H-tetrazol-5-yl)phenyl]acetamide
CID 126830336
N-(4-cyanophenyl)-2-hexoxyacetamide
CID 29001744
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxypropanamide
CID 104620175
N-(2-amino-5-chlorophenyl)-2-pentoxyacetamide
CID 43274990
2-[4-[(2-pentoxyacetyl)amino]phenyl]-N-propan-2-ylacetamide
CID 86871791

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide?
The IUPAC name of N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide (CID 126832712) is N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide.
What is the SMILES notation for N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide?
The canonical SMILES for N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide is CCCCCOCC(=O)Nc1[nH]ncc1I.
What is the InChIKey of N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide?
The InChIKey is XWGQCMKFWHFZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-2-3-4-5-16-7-9(15)13-10-8(11)6-12-14-10/h6H,2-5,7H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide?
N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide has a molecular weight of 337.16 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-1H-pyrazol-5-yl)-2-pentoxyacetamide is sourced from PubChem (CID 126832712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).