2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide

C15H19BrN4O2 — CID 119127821

IUPAC2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCNCc2ccn[nH]2)c1
InChIInChI=1S/C15H19BrN4O2/c1-22-12-3-4-14(16)13(9-12)15(21)18-7-2-6-17-10-11-5-8-19-20-11/h3-5,8-9,17H,2,6-7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCNPYFSWPNRUIGH-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.09
Rot. Bonds8

About 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide

2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide (PubChem CID 119127821) has the molecular formula C15H19BrN4O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide
PubChem CID119127821
Molecular FormulaC15H19BrN4O2
Molecular Weight367.25 g/mol
Exact Mass366.07
IUPAC Name2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCNCc2ccn[nH]2)c1
InChIInChI=1S/C15H19BrN4O2/c1-22-12-3-4-14(16)13(9-12)15(21)18-7-2-6-17-10-11-5-8-19-20-11/h3-5,8-9,17H,2,6-7,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyCNPYFSWPNRUIGH-UHFFFAOYSA-N
XLogP2.09
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-bromo-5-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546437
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-N-(3-cyclopropylpropyl)-5-methoxybenzamide
CID 113238439
2-bromo-5-methoxy-N-(5,5,5-trifluoropentyl)benzamide
CID 115491577
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-N-hex-5-ynyl-5-methoxybenzamide
CID 113256097
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
2-bromo-N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-5-methoxybenzamide
CID 133295594

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide (CID 119127821) is 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide is COc1ccc(Br)c(C(=O)NCCCNCc2ccn[nH]2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide?
The InChIKey is CNPYFSWPNRUIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2/c1-22-12-3-4-14(16)13(9-12)15(21)18-7-2-6-17-10-11-5-8-19-20-11/h3-5,8-9,17H,2,6-7,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide?
2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide has a molecular weight of 367.25 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-(1H-pyrazol-5-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 119127821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).