N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide

C16H22N4O2 — CID 71918466

IUPACN-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCOCCCn1ccc(NCc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-13(21)18-15-6-4-14(5-7-15)12-17-16-8-10-20(19-16)9-3-11-22-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyXOHVXLZMQXNBOP-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.49
Rot. Bonds8

About N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide

N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide (PubChem CID 71918466) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide
PubChem CID71918466
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide
SMILESCOCCCn1ccc(NCc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H22N4O2/c1-13(21)18-15-6-4-14(5-7-15)12-17-16-8-10-20(19-16)9-3-11-22-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,19)(H,18,21)
InChIKeyXOHVXLZMQXNBOP-UHFFFAOYSA-N
XLogP2.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide (CID 71918466) is N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide is COCCCn1ccc(NCc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide?
The InChIKey is XOHVXLZMQXNBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13(21)18-15-6-4-14(5-7-15)12-17-16-8-10-20(19-16)9-3-11-22-2/h4-8,10H,3,9,11-12H2,1-2H3,(H,17,19)(H,18,21).
What are the key properties of N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide?
N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-(3-methoxypropyl)pyrazol-3-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 71918466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).