4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide

C15H20N4O2 — CID 116800467

IUPAC4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
SMILESCCCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1
InChIInChI=1S/C15H20N4O2/c1-4-7-19-10-12(9-17-19)21-14-8-11(16)5-6-13(14)15(20)18(2)3/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyKVHCMSMKFZIMPW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.37
Rot. Bonds5

About 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide

4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide (PubChem CID 116800467) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
PubChem CID116800467
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide
SMILESCCCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1
InChIInChI=1S/C15H20N4O2/c1-4-7-19-10-12(9-17-19)21-14-8-11(16)5-6-13(14)15(20)18(2)3/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyKVHCMSMKFZIMPW-UHFFFAOYSA-N
XLogP2.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
3-amino-N-ethyl-4-(1-propylpyrazol-4-yl)oxybenzamide
CID 116800376
2-(1-propylpyrazol-4-yl)oxypyridin-4-amine
CID 116800439
4-bromo-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114904944
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
2-chloro-4-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 116803992
5-amino-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116793229
methyl 5-amino-3-chloro-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 107198187
3-fluoro-5-(1-propylpyrazol-4-yl)oxyaniline
CID 116800410
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
methyl 3-amino-2-(1-propylpyrazol-4-yl)oxybenzoate
CID 116802581

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide?
The IUPAC name of 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide (CID 116800467) is 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide?
The canonical SMILES for 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide is CCCn1cc(Oc2cc(N)ccc2C(=O)N(C)C)cn1.
What is the InChIKey of 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide?
The InChIKey is KVHCMSMKFZIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-7-19-10-12(9-17-19)21-14-8-11(16)5-6-13(14)15(20)18(2)3/h5-6,8-10H,4,7,16H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide?
4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide has a molecular weight of 288.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-2-(1-propylpyrazol-4-yl)oxybenzamide is sourced from PubChem (CID 116800467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).