3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

C15H20N4O2 — CID 81094396

IUPAC3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCCCc2cn[nH]c2C)c1
InChIInChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-5-17-15(20)12-6-13(16)8-14(7-12)21-2/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQVQLMPFFNPTCPW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.67
Rot. Bonds6

About 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide

3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (PubChem CID 81094396) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
PubChem CID81094396
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCCCc2cn[nH]c2C)c1
InChIInChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-5-17-15(20)12-6-13(16)8-14(7-12)21-2/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQVQLMPFFNPTCPW-UHFFFAOYSA-N
XLogP1.67
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62039591
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]thiophene-2-carboxamide
CID 79465562
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039228
3-amino-N-[4-(dimethylamino)butyl]-5-methoxybenzamide
CID 81090806
4-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62038962
6-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-3-carboxamide
CID 62039665
3-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038999
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 62039846
3-(chloromethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62038357
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 55080724

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The IUPAC name of 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide (CID 81094396) is 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is COc1cc(N)cc(C(=O)NCCCc2cn[nH]c2C)c1.
What is the InChIKey of 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
The InChIKey is QVQLMPFFNPTCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-11(9-18-19-10)4-3-5-17-15(20)12-6-13(16)8-14(7-12)21-2/h6-9H,3-5,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide?
3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 81094396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).